StructureCloud/HiQBind · Data Studio · Datasets at Hugging Face

2v72

2.25

2,007

GAL

A

1140

kd

=

0.000735

M

-3.133539

MOAD

Ka=1360.0M^-1

Q8XMY5

EXO-ALPHA-SIALIDASE

OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O

180.156

-3.2214

110.38

1

12

5

6

0.290153

2v77

1.603

2,008

PAY

B

400

ki

=

8.7

uM

-5.060481

MOAD

Ki=8.7uM

P15085

CARBOXYPEPTIDASE A1

C[C@@H](C[C@H](C[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-]

286.236

-4.5851

160.52

10

20

0

8

0.38732

2v77

1.603

2,008

PAY

A

400

ki

=

8.7

uM

-5.060481

MOAD

Ki=8.7uM

P15085

CARBOXYPEPTIDASE A1

C[C@@H](C[C@H](C[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-]

286.236

-4.5851

160.52

10

20

0

8

0.38732

2v7a

2.5

2,007

627

B

1504

kd

=

0.005

uM

-8.30103

MOAD

Kd=0.005uM

P00519

PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ABL1

CO[C@@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CC[NH+](C)CC4)cc3)c2C1)c1ccccc1

475.573

1.2266

95

6

35

3

5

0.498604

2v7a

2.5

2,007

627

A

1504

kd

=

0.005

uM

-8.30103

MOAD

Kd=0.005uM

P00519

PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ABL1

CO[C@@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CC[NH+](C)CC4)cc3)c2C1)c1ccccc1

475.573

1.2266

95

6

35

3

5

0.498604

2v7t

2.15

2,008

SAH

C

1299

kd

=

0

M

-7.480007

MOAD

Ka=30200000.0M^-1

Q70GK9,Q70GK9

5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE,5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[C@@H](O)[C@H]1O

384.418

-3.4886

187.08

7

26

4

11

0.348875

2v7t

2.15

2,008

SAH

B

1299

kd

=

0

M

-7.480007

MOAD

Ka=30200000.0M^-1

Q70GK9,Q70GK9

5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE,5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[C@@H](O)[C@H]1O

384.418

-3.4886

187.08

7

26

4

11

0.348875

2v7t

2.15

2,008

SAH

A

1299

kd

=

0

M

-7.480007

MOAD

Ka=30200000.0M^-1

Q70GK9,Q70GK9

5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE,5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[C@@H](O)[C@H]1O

384.418

-3.4886

187.08

7

26

4

11

0.348875

2v7u

2.0

2,008

SAM

A

1299

kd

=

0.000001

M

-5.90309

MOAD

Ka=800000.0M^-1

Q70GK9,Q70GK9

5'-FLUORO-5'-DEOXY ADENOSINE SYNTHETASE,5'-FLUORO-5'-DEOXY ADENOSINE SYNTHETASE

C[S@@+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

399.453

-3.9737

187.08

7

27

4

10

0.336655

2v7u

2.0

2,008

SAM

B

1299

kd

=

0.000001

M

-5.90309

MOAD

Ka=800000.0M^-1

Q70GK9,Q70GK9

5'-FLUORO-5'-DEOXY ADENOSINE SYNTHETASE,5'-FLUORO-5'-DEOXY ADENOSINE SYNTHETASE

C[S@@+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

399.453

-3.9737

187.08

7

27

4

10

0.336655

2v7u

2.0

2,008

SAM

B

1300

kd

=

0.000001

M

-5.90309

MOAD

Ka=800000.0M^-1

Q70GK9,Q70GK9

5'-FLUORO-5'-DEOXY ADENOSINE SYNTHETASE,5'-FLUORO-5'-DEOXY ADENOSINE SYNTHETASE

C[S@@+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

399.453

-3.9737

187.08

7

27

4

10

0.336655

2v7v

1.94

2,008

5FD

A

1299

kd

=

0

M

-6.658011

MOAD

Ka=4550000.0M^-1

Q70GK9,Q70GK9

5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE,5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CF)[C@@H](O)[C@H]1O

269.236

-1.0028

119.31

2

19

3

8

0.639076

2v7v

1.94

2,008

5FD

C

1299

kd

=

0

M

-6.658011

MOAD

Ka=4550000.0M^-1

Q70GK9,Q70GK9

5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE,5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CF)[C@@H](O)[C@H]1O

269.236

-1.0028

119.31

2

19

3

8

0.639076

2v7v

1.94

2,008

5FD

C

1300

kd

=

0

M

-6.658011

MOAD

Ka=4550000.0M^-1

Q70GK9,Q70GK9

5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE,5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CF)[C@@H](O)[C@H]1O

269.236

-1.0028

119.31

2

19

3

8

0.639076

2v7x

1.96

2,008

MET

B

1600

kd

=

0.000017

M

-4.770852

MOAD

Ka=59000.0M^-1

Q70GK9,Q70GK9

5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE,5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE

CSCC[C@H]([NH3+])C(=O)[O-]

149.215

-1.9001

67.77

4

9

1

3

0.507422

2v7x

1.96

2,008

MET

A

1600

kd

=

0.000017

M

-4.770852

MOAD

Ka=59000.0M^-1

Q70GK9,Q70GK9

5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE,5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE

CSCC[C@H]([NH3+])C(=O)[O-]

149.215

-1.9001

67.77

4

9

1

3

0.507422

2v7x

1.96

2,008

MET

C

1600

kd

=

0.000017

M

-4.770852

MOAD

Ka=59000.0M^-1

Q70GK9,Q70GK9

5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE,5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE

CSCC[C@H]([NH3+])C(=O)[O-]

149.215

-1.9001

67.77

4

9

1

3

0.507422

2v89

1.1

2,007

ALA-ALA

E

2001-2010

kd

=

4.15

uM

-5.381952

MOAD

Kd=4.15uM

P21784,P21784

VDJ RECOMBINATION-ACTIVATING PROTEIN 2,VDJ RECOMBINATION-ACTIVATING PROTEIN 2

C[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C)C(=O)[O-])[C@@H](C)O)[C@@H](C)O

1,090.316

-11.451

504.5

37

76

17

14

0.011889

2v89

1.1

2,007

ALA-ALA

D

3001-3010

kd

=

4.15

uM

-5.381952

MOAD

Kd=4.15uM

P21784

VDJ RECOMBINATION-ACTIVATING PROTEIN 2

C[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C)C(=O)[O-])[C@@H](C)O)[C@@H](C)O

1,090.316

-11.451

504.5

37

76

17

14

0.011889

2v8q

2.1

2,007

AMP

E

1327

kd

=

24.5

uM

-4.610834

MOAD

Kd=24.5uM

P80385

5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O

345.208

-3.127

191.73

4

23

3

12

0.474435

2v8w

2.3

2,007

MGO

A

1218

kd

=

146

nM

-6.835647

MOAD

Kd=146.0nM

P06730

EUKARYOTIC TRANSLATION INITIATION FACTOR 4E

C[n+]1cn([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c2cc(N)[nH]c(=O)c21

533.196

-4.8292

288.52

8

33

4

16

0.18276

2v8w

2.3

2,007

MGO

E

1218

kd

=

146

nM

-6.835647

MOAD

Kd=146.0nM

P06730

EUKARYOTIC TRANSLATION INITIATION FACTOR 4E

C[n+]1cn([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c2cc(N)[nH]c(=O)c21

533.196

-4.8292

288.52

8

33

4

16

0.18276

2v8x

2.3

2,007

MGQ

A

1218

kd

=

6.95

uM

-5.158015

MOAD

Kd=6.95uM

P06730

EUKARYOTIC TRANSLATION INITIATION FACTOR 4E

Nc1nc2c(c(=O)[nH]1)[n+](Cc1ccccc1)cn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O

452.34

-2.8929

202.69

6

31

4

11

0.221941

2v8x

2.3

2,007

MGQ

E

1218

kd

=

6.95

uM

-5.158015

MOAD

Kd=6.95uM

P06730

EUKARYOTIC TRANSLATION INITIATION FACTOR 4E

Nc1nc2c(c(=O)[nH]1)[n+](Cc1ccccc1)cn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O

452.34

-2.8929

202.69

6

31

4

11

0.221941

2v8y

2.1

2,007

MGV

A

1218

kd

=

1.96

uM

-5.707744

MOAD

Kd=1.96uM

P06730

EUKARYOTIC TRANSLATION INITIATION FACTOR 4E

Nc1nc2c(c(=O)[nH]1)[n+](Cc1ccc(F)cc1)cn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O

470.33

-2.7538

202.69

6

32

4

11

0.215917

2v8y

2.1

2,007

MGV

E

1218

kd

=

1.96

uM

-5.707744

MOAD

Kd=1.96uM

P06730

EUKARYOTIC TRANSLATION INITIATION FACTOR 4E

Nc1nc2c(c(=O)[nH]1)[n+](Cc1ccc(F)cc1)cn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O

470.33

-2.7538

202.69

6

32

4

11

0.215917

2v92

2.4

2,007

AMP

E

1329

kd

=

24.5

uM

-4.610834

MOAD

Kd=24.5uM

P80385

5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O

345.208

-3.127

191.73

4

23

3

12

0.474435

2v92

2.4

2,007

ATP

E

1327

kd

=

12.5

uM

-4.90309

MOAD

Kd=12.5uM

P80385

5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O

503.15

-4.157

290.45

8

31

3

18

0.28788

2v92

2.4

2,007

ATP

E

1328

kd

=

12.5

uM

-4.90309

MOAD

Kd=12.5uM

P54645,P80385

5'-AMP-ACTIVATED PROTEIN KINASE CATALYTIC SUBUNIT ALPHA-1,5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O

503.15

-4.157

290.45

8

31

3

18

0.28788

2va5

2.75

2,007

C8C

A

1389

ic50

=

130,000

nM

-3.886057

BindingDB

IC50=130000nM

P56817

BETA-SECRETASE 1 .

Nc1nc(CCc2ccc3cc[nH]c3c2)cc(=O)[nH]1

254.293

1.6186

87.56

3

19

3

0.6633

2va6

2.5

2,007

H24

A

1504

ic50

=

0.67

uM

-6.173925

MOAD

ic50=0.67uM

P56817

BETA SECRETASE 1

COc1cccc(-c2cccc([C@]3(C)CC(=O)N(C)C(N)=[NH+]3)c2)c1

324.404

0.8348

69.53

3

24

2

3

0.878749

2va7

2.2

2,007

C27

A

1505

ic50

=

0.2

uM

-6.69897

MOAD

ic50=0.2uM

P56817

BETA-SECRETASE 1 .

COc1cccc(-c2cccc(CC[C@]3(C)CC(=O)N(C)C(N)=[NH+]3)c2)c1

352.458

1.3109

69.53

5

26

2

3

0.852469

2vag

1.8

2,007

V25

A

1482

ic50

=

19.7

nM

-7.705534

MOAD

ic50=19.7nM

P49759

DUAL SPECIFICITY PROTEIN KINASE CLK1

CCOC(=O)c1c(C(C#N)=CN)c2ccc(Cl)c(Cl)c2n1C

338.194

3.48498

81.04

3

22

1

5

0.686117

2vb8

1.52

2,007

TLM

A

1405

ic50

=

12,000

nM

-4.920819

BindingDB

IC50=12000nM

P0A953,P0A953

3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1,3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1

C=C/C(C)=C/[C@@]1(C)SC(=O)C(C)=C1[O-]

209.29

1.7851

40.13

2

14

0

3

0.650836

2vb8

1.52

2,007

TLM

B

1405

ic50

=

12,000

nM

-4.920819

BindingDB

IC50=12000nM

P0A953,P0A953

3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1,3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1

C=C/C(C)=C/[C@@]1(C)SC(=O)C(C)=C1[O-]

209.29

1.7851

40.13

2

14

0

3

0.650836

2vb8

1.52

2,007

TLM

C

1405

ic50

=

12,000

nM

-4.920819

BindingDB

IC50=12000nM

P0A953,P0A953

3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1,3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1

C=C/C(C)=C/[C@@]1(C)SC(=O)C(C)=C1[O-]

209.29

1.7851

40.13

2

14

0

3

0.650836

2vb8

1.52

2,007

TLM

D

1405

ic50

=

12,000

nM

-4.920819

BindingDB

IC50=12000nM

P0A953,P0A953

3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1,3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1

C=C/C(C)=C/[C@@]1(C)SC(=O)C(C)=C1[O-]

209.29

1.7851

40.13

2

14

0

3

0.650836

2vba

1.36

2,007

P4T

A

1405

kd

=

25

uM

-4.60206

MOAD

Kd=25.0uM

P0A953,P0A953

3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1,3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1

CC(=O)c1sc(Nc2ccccc2)nc1C

232.308

3.39772

41.99

3

16

1

4

0.824584

2vbq

2.0

2,008

BSJ

A

1000

ki

<

41

uM

-4.387216

MOAD

Ki<41.0uM

Q9R381,Q9R381

AMINOGLYCOSIDE 6'-N-ACETYLTRANSFERASE,AMINOGLYCOSIDE 6'-N-ACETYLTRANSFERASE

CC(C)(CO[P@](=O)([O-])O[P@](=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)/N=C\CSCCC(=O)NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H]([NH3+])C[C@@H]2[NH3+])[C@H]([NH3+])[C@@H](O)[C@@H]1O

1,140.927

-10.6135

569.61

25

74

12

29

0.024949

2vbq

2.0

2,008

BSJ

B

1146

ki

<

41

uM

-4.387216

MOAD

Ki<41.0uM

Q9R381,Q9R381

AMINOGLYCOSIDE 6'-N-ACETYLTRANSFERASE,AMINOGLYCOSIDE 6'-N-ACETYLTRANSFERASE

CC(C)(CO[P@](=O)([O-])O[P@](=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)/N=C\CSCCC(=O)NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H]([NH3+])C[C@@H]2[NH3+])[C@H]([NH3+])[C@@H](O)[C@@H]1O

1,140.927

-10.6135

569.61

25

74

12

29

0.024949

2vc2

3.1

2,008

180

B

1477

kd

=

0.07

nM

-10.154902

BindingDB

IC50=8nM,Kd=0.07nM

P08514,P05106

INTEGRIN ALPHA-IIB,INTEGRIN BETA-3

O=C(NC[C@H](NS(=O)(=O)c1cccnc1)C(=O)[O-])c1cc2cc(CCC3CC[NH2+]CC3)sc2s1

522.674

0.0906

144.9

10

34

3

8

0.344175

2vc7

2.05

2,008

HT5

D

1329

ki

=

432.7

uM

-3.363813

MOAD

Ki=432.7uM

Q97VT7,Q97VT7

ARYLDIALKYLPHOSPHATASE,ARYLDIALKYLPHOSPHATASE

CCCCCCCCCC(=O)N[C@H]1CCSC1=O

271.426

3.2754

46.17

9

18

1

3

0.65463

2vc7

2.05

2,008

HT5

C

1329

ki

=

432.7

uM

-3.363813

MOAD

Ki=432.7uM

Q97VT7,Q97VT7

ARYLDIALKYLPHOSPHATASE,ARYLDIALKYLPHOSPHATASE

CCCCCCCCCC(=O)N[C@H]1CCSC1=O

271.426

3.2754

46.17

9

18

1

3

0.65463

2vc7

2.05

2,008

HT5

B

1328

ki

=

432.7

uM

-3.363813

MOAD

Ki=432.7uM

Q97VT7,Q97VT7

ARYLDIALKYLPHOSPHATASE,ARYLDIALKYLPHOSPHATASE

CCCCCCCCCC(=O)N[C@H]1CCSC1=O

271.426

3.2754

46.17

9

18

1

3

0.65463

2vc7

2.05

2,008

HT5

A

1335

ki

=

432.7

uM

-3.363813

MOAD

Ki=432.7uM

Q97VT7,Q97VT7

ARYLDIALKYLPHOSPHATASE,ARYLDIALKYLPHOSPHATASE

CCCCCCCCCC(=O)N[C@H]1CCSC1=O

271.426

3.2754

46.17

9

18

1

3

0.65463

2vc9

2.36

2,008

NOK

A

1909

kd

=

3.6

nM

-8.443697

MOAD

Kd=3.6nM

A0A0H2YU91

ALPHA-N-ACETYLGLUCOSAMINIDASE

CC(=O)N[C@H]1C[NH2+][C@H](CO)[C@@H](O)[C@@H]1O

205.234

-3.8492

106.4

2

14

5

4

0.318026

2vci

2.0

2,007

2GJ

A

1225

ic50

=

0.021

uM

-7.677781

MOAD

ic50=0.021uM

P07900

HEAT SHOCK PROTEIN HSP 90-ALPHA

CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(C[NH+]2CCOCC2)cc1

466.558

2.708

109.26

7

34

4

6

0.426387

2vcj

2.5

2,007

2EQ

A

1224

ic50

=

0.021

uM

-7.677781

MOAD

ic50=0.021uM

P07900

HEAT SHOCK PROTEIN HSP 90-ALPHA

CCNC(=O)c1noc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(C[NH+]2CCOCC2)cc1

458.922

2.238

109.26

6

32

4

6

0.450818

2vcq

1.95

2,008

D25

A

1201

ic50

=

0.92

uM

-6.036212

MOAD

ic50=0.92uM

O60760,O60760

GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE,GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE

c1ccc(-c2cc(-c3cc[nH]n3)on2)cc1

211.224

2.7317

54.71

2

16

1

3

0.708605

2vcq

1.95

2,008

D25

B

1201

ic50

=

0.92

uM

-6.036212

MOAD

ic50=0.92uM

O60760,O60760

GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE,GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE

c1ccc(-c2cc(-c3cc[nH]n3)on2)cc1

211.224

2.7317

54.71

2

16

1

3

0.708605

2vcq

1.95

2,008

D25

C

1201

ic50

=

0.92

uM

-6.036212

MOAD

ic50=0.92uM

O60760,O60760

GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE,GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE

c1ccc(-c2cc(-c3cc[nH]n3)on2)cc1

211.224

2.7317

54.71

2

16

1

3

0.708605

2vcw

1.95

2,008

ZZA

B

1201

ic50

=

890

uM

-3.05061

MOAD

ic50=890.0uM

O60760,O60760

GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE,GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE

O=C([O-])c1cnn(-c2ccccc2)c1

187.178

0.2358

57.95

2

14

0

4

0.676043

2vcx

2.1

2,008

D26

B

1201

ic50

=

0.021

uM

-7.677781

MOAD

ic50=0.021uM

O60760,O60760

GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE,GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE

c1ccc(-c2ncc(-c3cc[nH]n3)s2)cc1

227.292

3.2002

41.57

2

16

1

3

0.73005

2vcx

2.1

2,008

D26

C

1202

ic50

=

0.021

uM

-7.677781

MOAD

ic50=0.021uM

O60760,O60760

GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE,GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE

c1ccc(-c2ncc(-c3cc[nH]n3)s2)cc1

227.292

3.2002

41.57

2

16

1

3

0.73005

2vcx

2.1

2,008

D26

D

1201

ic50

=

0.021

uM

-7.677781

MOAD

ic50=0.021uM

O60760,O60760

GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE,GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE

c1ccc(-c2ncc(-c3cc[nH]n3)s2)cc1

227.292

3.2002

41.57

2

16

1

3

0.73005

2vd0

2.2

2,008

D27

B

1200

ic50

=

11.6

uM

-4.935542

MOAD

ic50=11.6uM

O60760,O60760

GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE,GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE

COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)[O-])cc1OC

326.328

1.7192

87.69

6

24

1

5

0.816732

2vd1

2.25

2,008

D28

B

1200

ic50

=

0.138

uM

-6.860121

MOAD

ic50=0.138uM

O60760,O60760

GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE,GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE

Cc1cc(-c2csc(Nc3ccc(C(=O)[O-])c(O)c3)n2)ccc1F

343.359

3.07032

85.28

4

24

2

6

0.760322

2vd4

1.9

2,008

P21

A

1454

ic50

=

18

uM

-4.744727

MOAD

ic50=18.0uM

P43889

BIFUNCTIONAL PROTEIN GLMU

COCCCN(C(=O)c1ccc(Cl)cc1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1

415.985

3.1087

33.98

9

29

1

2

0.638336

2vd7

2.25

2,007

PD2

A

1356

ic50

=

4,200

nM

-5.376751

BindingDB

IC50=4200nM

O75164

JMJC DOMAIN-CONTAINING HISTONE DEMETHYLATION PROTEIN 3A

O=C([O-])c1ccnc(C(=O)[O-])c1

165.104

-2.1914

93.15

2

12

0

5

0.495721

2vd7

2.25

2,007

PD2

B

1356

ic50

=

4,200

nM

-5.376751

BindingDB

IC50=4200nM

O75164

JMJC DOMAIN-CONTAINING HISTONE DEMETHYLATION PROTEIN 3A

O=C([O-])c1ccnc(C(=O)[O-])c1

165.104

-2.1914

93.15

2

12

0

5

0.495721

2vdm

2.9

2,008

AGG

B

1462

kd

=

13

nM

-7.886057

BindingDB

IC50=15nM,Kd=13nM,EC50=13.6nM

P08514,P05106

INTEGRIN ALPHA-IIB,INTEGRIN BETA-3

CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CC[NH2+]CC2)cc1)C(=O)[O-]

440.606

0.5896

112.14

14

30

2

5

0.411326

2vdy

2.3

2,008

HCY

A

1384

ki

=

13

nM

-7.886057

BindingDB

Ki=13nM

P08185

CORTICOSTEROID-BINDING GLOBULIN

C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO

362.466

1.7816

94.83

2

26

3

5

0.696016

2vdy

2.3

2,008

HCY

B

1384

ki

=

13

nM

-7.886057

BindingDB

Ki=13nM

P08185

CORTICOSTEROID-BINDING GLOBULIN

C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO

362.466

1.7816

94.83

2

26

3

5

0.696016

2ve3

2.1

2,008

REA

A

1445

kd

<

1

uM

-6

MOAD

Kd<1.0uM

Q59990,Q59990

PUTATIVE CYTOCHROME P450 120,PUTATIVE CYTOCHROME P450 120

CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)[O-])C(C)(C)CCC1

299.434

4.2679

40.13

5

22

0

2

0.561654

2ve3

2.1

2,008

REA

B

1445

kd

<

1

uM

-6

MOAD

Kd<1.0uM

Q59990

PUTATIVE CYTOCHROME P450 120

CC1=C(C=C/C(C)=C/C=C/C(C)=C/C(=O)[O-])C(C)(C)CCC1

299.434

4.2679

40.13

5

22

0

2

0.561654

2veu

2.4

2,007

IZ1

A

1299

ic50

=

100

nM

-7

MOAD

ic50=100.0nM

P18031

TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1

O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)c3nc(-c4ccccc4)c[nH]3)cc2)S(=O)(=O)N1

604.632

4.2486

138.09

8

41

3

6

0.275064

2vev

1.8

2,007

IZ2

A

1300

ic50

=

300

nM

-6.522879

MOAD

ic50=300.0nM

P18031

TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1

O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)c3nc(Cc4ccccc4)c[nH]3)cc2)S(=O)(=O)N1

618.659

4.1724

138.09

9

42

3

6

0.257536

2vew

2.0

2,007

IZ3

A

1299

ic50

=

64

nM

-7.19382

MOAD

ic50=64.0nM

P18031

TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1

O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(F)c3)[C@@H]3N[C@H](Cc4ccccc4F)C=[NH+]3)cc2)S(=O)(=O)N1

589.666

0.4372

135.41

9

40

4

6

0.286207

2vex

2.2

2,007

IZ4

A

1300

ic50

=

130

nM

-6.886057

MOAD

ic50=130.0nM

P18031

TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1

O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(F)c3)C3=[NH+][C@H](CCc4ccccc4)CN3)cc2)S(=O)(=O)N1

585.703

0.6898

135.41

10

40

4

6

0.276659

2vey

2.2

2,007

IZ5

A

1300

ic50

=

43

nM

-7.366532

MOAD

ic50=43.0nM

P18031

TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1

O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(F)c3)c3nc(CCCc4ccccc4)c[nH]3)cc2)S(=O)(=O)N1

596.706

3.8772

138.09

11

41

3

6

0.240351

2vez

1.45

2,009

G6P

A

202

ki

=

2.6

mM

-2.585027

MOAD

Ki=2.6mM

Q4WCU5

PUTATIVE GLUCOSAMINE 6-PHOSPHATE ACETYLTRANSFERASE

O=P([O-])([O-])OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O

258.119

-4.3684

162.57

3

16

4

9

0.365942

2vf6

2.1

2,007

M0N

A

1351

ic50

=

3

nM

-8.522879

BindingDB

IC50=3nM

P14324

FARNESYL PYROPHOSPHATE SYNTHETASE

O=P([O-])([O-])C(O)(Cc1cnc2ccccn12)P(=O)([O-])[O-]

318.118

-2.6497

163.91

4

20

1

9

0.59696

2vfi

2.25

2,008

3PG

A

1250

ki

=

1.9

mM

-2.721246

MOAD

Ki=1.9mM

Q07412,Q07412

TRIOSEPHOSPHATE ISOMERASE,TRIOSEPHOSPHATE ISOMERASE

O=C([O-])[C@@H](O)COP(=O)([O-])[O-]

183.032

-4.0575

132.78

4

11

1

7

0.437959

2vfi

2.25

2,008

3PG

A

1249

ki

=

1.9

mM

-2.721246

MOAD

Ki=1.9mM

Q07412,Q07412

TRIOSEPHOSPHATE ISOMERASE,TRIOSEPHOSPHATE ISOMERASE

O=C([O-])[C@@H](O)COP(=O)([O-])[O-]

183.032

-4.0575

132.78

4

11

1

7

0.437959

2vfi

2.25

2,008

3PG

B

1249

ki

=

1.9

mM

-2.721246

MOAD

Ki=1.9mM

Q07412,Q07412

TRIOSEPHOSPHATE ISOMERASE,TRIOSEPHOSPHATE ISOMERASE

O=C([O-])[C@@H](O)COP(=O)([O-])[O-]

183.032

-4.0575

132.78

4

11

1

7

0.437959

2vfi

2.25

2,008

3PG

B

1250

ki

=

1.9

mM

-2.721246

MOAD

Ki=1.9mM

Q07412,Q07412

TRIOSEPHOSPHATE ISOMERASE,TRIOSEPHOSPHATE ISOMERASE

O=C([O-])[C@@H](O)COP(=O)([O-])[O-]

183.032

-4.0575

132.78

4

11

1

7

0.437959

2vfk

1.5

2,008

AMP

A

1293

kd

=

194

uM

-3.712198

MOAD

Kd=194.0uM

null

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O

345.208

-3.127

191.73

4

23

3

12

0.474435

2vfz

2.4

2,007

UPF

A

1360

ki

=

245

uM

-3.610834

MOAD

Ki=245.0uM

P14769

N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYL TRANSFERASE

O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3F)[C@@H](O)[C@H]2O)c(=O)[nH]1

566.277

-5.0805

282.42

9

36

6

17

0.152459

2vfz

2.4

2,007

UPF

B

2364

ki

=

245

uM

-3.610834

MOAD

Ki=245.0uM

P14769

N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYL TRANSFERASE

O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3F)[C@@H](O)[C@H]2O)c(=O)[nH]1

566.277

-5.0805

282.42

9

36

6

17

0.152459

2vgo

1.7

2,008

AD5

A

1357

ic50

=

500

nM

-6.30103

MOAD

ic50=500.0nM

Q6DE08,O13024

SERINE/THREONINE-PROTEIN KINASE 12-A,INNER CENTROMERE PROTEIN A

c1nc2c(NC3CCCCC3)nc(Nc3ccc(N4CCOCC4)cc3)nc2[nH]1

393.495

3.6777

90.99

5

29

3

7

0.609007

2vgo

1.7

2,008

AD5

B

1359

ic50

=

500

nM

-6.30103

MOAD

ic50=500.0nM

O13024,Q6DE08

INNER CENTROMERE PROTEIN A,SERINE/THREONINE-PROTEIN KINASE 12-A

c1nc2c(NC3CCCCC3)nc(Nc3ccc(N4CCOCC4)cc3)nc2[nH]1

393.495

3.6777

90.99

5

29

3

7

0.609007

2vgp

1.7

2,008

AD6

B

1356

ic50

=

577

nM

-6.238824

MOAD

ic50=577.0nM

O13024,Q6DE08

INNER CENTROMERE PROTEIN A,SERINE/THREONINE-PROTEIN KINASE 12-A

CNC(=O)c1ccc(Nc2ncc(Br)s2)cc1

312.192

3.0088

54.02

3

17

2

4

0.91586

2vgp

1.7

2,008

AD6

A

1357

ic50

=

577

nM

-6.238824

MOAD

ic50=577.0nM

Q6DE08,O13024

SERINE/THREONINE-PROTEIN KINASE 12-A,INNER CENTROMERE PROTEIN A

CNC(=O)c1ccc(Nc2ncc(Br)s2)cc1

312.192

3.0088

54.02

3

17

2

4

0.91586

2vh0

1.7

2,008

GSI

A

1247

ki

<

1

nM

-9

MOAD

Ki<1.0nM

P00742,P00742

ACTIVATED FACTOR XA HEAVY CHAIN,ACTIVATED FACTOR XA LIGHT CHAIN

C[NH+](C)Cc1nccn1-c1ccc(N2CC[C@H](NS(=O)(=O)CCc3ccc(Cl)s3)C2=O)c(F)c1

527.067

1.6382

88.74

9

34

2

6

0.443511

2vh6

1.95

2,008

GSV

A

1245

ki

=

0.2

nM

-9.69897

MOAD

Ki=0.2nM

P00742,P00742

ACTIVATED FACTOR XA HEAVY CHAIN,ACTIVATED FACTOR XA LIGHT CHAIN

CS(=O)(=O)c1ccccc1-c1ccc(N2CC[C@H](NS(=O)(=O)CCc3ccc(Cl)s3)C2=O)c(F)c1

557.09

3.8785

100.62

8

35

1

6

0.453696

2vhw

2.0

2,008

NAI

A

1373

kd

=

8.2

uM

-5.086186

MOAD

Kd=8.2uM

P9WQB1,P9WQB1,P9WQB1

ALANINE DEHYDROGENASE,ALANINE DEHYDROGENASE,ALANINE DEHYDROGENASE

NC(=O)C1=CN([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1

663.43

-3.9504

323.28

11

44

6

20

0.124904

2vhw

2.0

2,008

NAI

B

1372

kd

=

8.2

uM

-5.086186

MOAD

Kd=8.2uM

P9WQB1,P9WQB1,P9WQB1

ALANINE DEHYDROGENASE,ALANINE DEHYDROGENASE,ALANINE DEHYDROGENASE

NC(=O)C1=CN([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1

663.43

-3.9504

323.28

11

44

6

20

0.124904

2vhw

2.0

2,008

NAI

C

1372

kd

=

8.2

uM

-5.086186

MOAD

Kd=8.2uM

P9WQB1,P9WQB1

ALANINE DEHYDROGENASE,ALANINE DEHYDROGENASE

NC(=O)C1=CN([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1

663.43

-3.9504

323.28

11

44

6

20

0.124904

2vhw

2.0

2,008

NAI

D

1371

kd

=

8.2

uM

-5.086186

MOAD

Kd=8.2uM

P9WQB1,P9WQB1

ALANINE DEHYDROGENASE,ALANINE DEHYDROGENASE

NC(=O)C1=CN([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1

663.43

-3.9504

323.28

11

44

6

20

0.124904

2vhw

2.0

2,008

NAI

E

1374

kd

=

8.2

uM

-5.086186

MOAD

Kd=8.2uM

P9WQB1,P9WQB1,P9WQB1

ALANINE DEHYDROGENASE,ALANINE DEHYDROGENASE,ALANINE DEHYDROGENASE

NC(=O)C1=CN([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1

663.43

-3.9504

323.28

11

44

6

20

0.124904

2vhw

2.0

2,008

NAI

F

1374

kd

=

8.2

uM

-5.086186

MOAD

Kd=8.2uM

P9WQB1,P9WQB1,P9WQB1

ALANINE DEHYDROGENASE,ALANINE DEHYDROGENASE,ALANINE DEHYDROGENASE

NC(=O)C1=CN([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1

663.43

-3.9504

323.28

11

44

6

20

0.124904

2vi5

2.3

2,008

Y19

G

201

ki

=

110

uM

-3.958607

MOAD

Ki=110.0uM

P9WHE9,P9WHE9

6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE,6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE

CCC(=O)N[C@@H]1C(=O)NC(=O)N=C1NC[C@H](O)[C@H](O)[C@H](O)CO

332.313

-3.8059

180.58

7

23

7

8

0.247596

2vi5

2.3

2,008

Y19

J

201

ki

=

110

uM

-3.958607

MOAD

Ki=110.0uM

P9WHE9,P9WHE9

6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE,6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE

CCC(=O)N[C@@H]1C(=O)NC(=O)N=C1NC[C@H](O)[C@H](O)[C@H](O)CO

332.313

-3.8059

180.58

7

23

7

8

0.247596

2vi5

2.3

2,008

Y19

I

201

ki

=

110

uM

-3.958607

MOAD

Ki=110.0uM

P9WHE9,P9WHE9,P9WHE9

6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE,6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE,6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE

CCC(=O)N[C@@H]1C(=O)NC(=O)N=C1NC[C@H](O)[C@H](O)[C@H](O)CO

332.313

-3.8059

180.58

7

23

7

8

0.247596

2vi5

2.3

2,008

Y19

F

201

ki

=

110

uM

-3.958607

MOAD

Ki=110.0uM

P9WHE9,P9WHE9,P9WHE9

6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE,6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE,6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE

CCC(=O)N[C@@H]1C(=O)NC(=O)N=C1NC[C@H](O)[C@H](O)[C@H](O)CO

332.313

-3.8059

180.58

7

23

7

8

0.247596

2vi5

2.3

2,008

Y19

H

201

ki

=

110

uM

-3.958607

MOAD

Ki=110.0uM

P9WHE9,P9WHE9,P9WHE9

6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE,6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE,6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE

CCC(=O)N[C@@H]1C(=O)NC(=O)N=C1NC[C@H](O)[C@H](O)[C@H](O)CO

332.313

-3.8059

180.58

7

23

7

8

0.247596

2vi5

2.3

2,008

Y19

D

201

ki

=

110

uM

-3.958607

MOAD

Ki=110.0uM

P9WHE9,P9WHE9,P9WHE9

6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE,6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE,6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE

CCC(=O)N[C@@H]1C(=O)NC(=O)N=C1NC[C@H](O)[C@H](O)[C@H](O)CO

332.313

-3.8059

180.58

7

23

7

8

0.247596

2vi5

2.3

2,008

Y19

C

201

ki

=

110

uM

-3.958607

MOAD

Ki=110.0uM

P9WHE9,P9WHE9,P9WHE9

6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE,6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE,6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE

CCC(=O)N[C@@H]1C(=O)NC(=O)N=C1NC[C@H](O)[C@H](O)[C@H](O)CO

332.313

-3.8059

180.58

7

23

7

8

0.247596

2vi5

2.3

2,008

Y19

E

201

ki

=

110

uM

-3.958607

MOAD

Ki=110.0uM

P9WHE9,P9WHE9,P9WHE9

6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE,6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE,6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE

CCC(=O)N[C@@H]1C(=O)NC(=O)N=C1NC[C@H](O)[C@H](O)[C@H](O)CO

332.313

-3.8059

180.58

7

23

7

8

0.247596

2vi5

2.3

2,008

Y19

B

201

ki

=

110

uM

-3.958607

MOAD

Ki=110.0uM

P9WHE9,P9WHE9,P9WHE9

6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE,6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE,6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE

CCC(=O)N[C@@H]1C(=O)NC(=O)N=C1NC[C@H](O)[C@H](O)[C@H](O)CO

332.313

-3.8059

180.58

7

23

7

8

0.247596