PDBID stringlengths 4 4 | Resolution stringlengths 1 13 | Year int64 1.98k 2.02k | Ligand Name stringlengths 1 7 | Ligand Chain stringclasses 53
values | Ligand Residue Number stringlengths 1 9 | Binding Affinity Measurement stringclasses 4
values | Binding Affinity Sign stringclasses 6
values | Binding Affinity Value float64 0 500M | Binding Affinity Unit stringclasses 6
values | Log Binding Affinity float64 -14 2.97 ⌀ | Binding Affinity Source stringclasses 3
values | Binding Affinity Annotation stringlengths 6 72 | Protein UniProtID stringlengths 6 55 ⌀ | Protein UniProtName stringlengths 2 575 ⌀ | Ligand SMILES stringlengths 4 352 | Ligand MW float64 44 1.82k | Ligand LogP float64 -23.01 13.7 | Ligand TPSA float64 0 786 | Ligand NumRotBond int64 0 59 | Ligand NumHeavyAtoms int64 3 120 | Ligand NumHDon int64 0 30 | Ligand NumHAcc int64 0 56 | Ligand QED float64 0.01 0.95 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2vi5 | 2.3 | 2,008 | Y19 | A | 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 |
2vie | 1.9 | 2,008 | VG0 | A | 1448 | ic50 | = | 33 | nM | -7.481486 | MOAD | ic50=33.0nM | P56817 | BETA-SECRETASE 1 | CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C(C)(C)CCCC(C)C)cc(N2CCCC2=O)c1 | 537.769 | 4.1155 | 98.28 | 15 | 39 | 4 | 4 | 0.274791 |
2vin | 1.9 | 2,008 | 505 | A | 1247 | ic50 | > | 1 | mM | -3 | MOAD | ic50>1.0mM | P00749 | UROKINASE-TYPE PLASMINOGEN ACTIVATOR CHAIN B | Cc1cccc(C)c1OC[C@@H](C)[NH3+] | 180.271 | 1.31264 | 36.87 | 3 | 13 | 1 | 1 | 0.747864 |
2vio | 1.8 | 2,008 | L1O | A | 1246 | ic50 | = | 40 | uM | -4.39794 | MOAD | ic50=40.0uM | P00749 | UROKINASE-TYPE PLASMINOGEN ACTIVATOR CHAIN B | [NH3+]CCOc1c(Cl)cc(C(=O)[O-])cc1Cl | 250.081 | -0.0224 | 77 | 4 | 15 | 1 | 3 | 0.81509 |
2vip | 1.72 | 2,008 | L1R | A | 1247 | ic50 | = | 5.2 | uM | -5.283997 | MOAD | ic50=5.2uM | P00749 | UROKINASE-TYPE PLASMINOGEN ACTIVATOR CHAIN B | CC(C)Oc1cccc(NC(=O)c2cc(Cl)c(OCC[NH3+])c(Cl)c2)c1 | 384.283 | 3.6536 | 75.2 | 7 | 25 | 2 | 3 | 0.765275 |
2viq | 2.0 | 2,008 | D55 | A | 1246 | ic50 | = | 1.3 | uM | -5.886057 | MOAD | ic50=1.3uM | P00749 | UROKINASE-TYPE PLASMINOGEN ACTIVATOR CHAIN B | CCOc1ccc(OCC)c(NC(=O)c2cc(C)c(OCC[NH3+])c(C)c2)c1 | 373.473 | 2.97384 | 84.43 | 9 | 27 | 2 | 4 | 0.707672 |
2viv | 1.72 | 2,008 | VG2 | A | 1247 | ic50 | = | 520 | nM | -6.283997 | MOAD | ic50=520.0nM | P00749 | UROKINASE-TYPE PLASMINOGEN ACTIVATOR CHAIN B | Cc1cc(C(=O)Nc2cc(Cl)cc(N3CCCCC3)c2)cc(C)c1OCC[NH3+] | 402.946 | 3.82014 | 69.21 | 6 | 28 | 2 | 3 | 0.771189 |
2viw | 2.05 | 2,008 | D56 | A | 1246 | ic50 | = | 72 | nM | -7.142668 | MOAD | ic50=72.0nM | P00749 | UROKINASE-TYPE PLASMINOGEN ACTIVATOR CHAIN B | CCOc1c(Cl)cc(N2CCCCC2)cc1NC(=O)c1cc(C)c(OCC[NH3+])c(C)c1 | 446.999 | 4.21884 | 78.44 | 8 | 31 | 2 | 4 | 0.635933 |
2viy | 1.82 | 2,008 | VG3 | A | 1448 | ic50 | = | 1.8 | uM | -5.744727 | MOAD | ic50=1.8uM | P56817 | BETA-SECRETASE 1 | CCCCCS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+][C@@H](C)C(=O)NC2CCCCC2)c1 | 572.792 | 2.7533 | 129.18 | 15 | 40 | 4 | 5 | 0.244066 |
2viz | 1.6 | 2,008 | VG4 | A | 1448 | ic50 | = | 605 | nM | -6.218245 | MOAD | ic50=605.0nM | P56817 | BETA-SECRETASE 1 | CCCOc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+][C@@H](C)C(=O)NC2CCCCC2)cc(N2C=CCC2=O)c1 | 577.746 | 2.8286 | 124.58 | 14 | 42 | 4 | 5 | 0.274967 |
2vj6 | 1.8 | 2,008 | VG5 | A | 1447 | ic50 | = | 13 | nM | -7.886057 | MOAD | ic50=13.0nM | P56817 | BETA-SECRETASE 1 | CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+][C@@H](C)C(=O)NC2CCCCC2)cc(N2CCCC2=O)c1 | 564.751 | 2.348 | 127.38 | 13 | 41 | 5 | 5 | 0.255314 |
2vj7 | 1.6 | 2,008 | VG6 | A | 1448 | ic50 | = | 40 | nM | -7.39794 | MOAD | ic50=40.0nM | P56817 | BETA-SECRETASE 1 | CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(C(F)(F)F)c2)cc(N2CCCC2=O)c1 | 569.648 | 3.7296 | 98.28 | 12 | 41 | 4 | 4 | 0.267325 |
2vj8 | 1.8 | 2,008 | HA2 | A | 1616 | ki | = | 0.002 | uM | -8.69897 | MOAD | Ki=0.002uM | P09960 | LTA4H PROTEIN | [NH3+][C@@H](Cc1ccc(OCc2ccccc2)cc1)CN(O)C(=O)CCCCC(=O)[O-] | 400.475 | 0.9467 | 117.54 | 12 | 29 | 2 | 5 | 0.31241 |
2vj9 | 1.6 | 2,008 | VG7 | A | 1452 | ic50 | = | 180 | nM | -6.744727 | MOAD | ic50=180.0nM | P56817 | BETA-SECRETASE 1 | CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CCCCC2)cc(N2CCCC2=O)c1 | 493.672 | 2.8433 | 98.28 | 11 | 36 | 4 | 4 | 0.386942 |
2vjc | 2.3 | 2,008 | CHH | A | 1538 | ic50 | = | 8.5 | nM | -8.070581 | BindingDB | IC50=8.5nM | P04058 | ACETYLCHOLINESTERASE | CC(=O)CCC[N+](C)(C)C | 144.238 | 1.0618 | 17.07 | 4 | 10 | 0 | 1 | 0.539188 |
2vjc | 2.3 | 2,008 | CHH | B | 1536 | ic50 | = | 8.5 | nM | -8.070581 | BindingDB | IC50=8.5nM | P04058 | ACETYLCHOLINESTERASE | CC(=O)CCC[N+](C)(C)C | 144.238 | 1.0618 | 17.07 | 4 | 10 | 0 | 1 | 0.539188 |
2vjx | 1.85 | 2,008 | IFL | A | 1865 | ki | = | 11 | uM | -4.958607 | MOAD | Ki=11.0uM | Q8AAK6 | BETA-MANNOSIDASE | O=C1NC[C@H](CO)[C@@H](O)[C@@H]1O | 161.157 | -2.5535 | 89.79 | 1 | 11 | 4 | 4 | 0.340539 |
2vjx | 1.85 | 2,008 | IFL | B | 1867 | ki | = | 11 | uM | -4.958607 | MOAD | Ki=11.0uM | Q8AAK6 | BETA-MANNOSIDASE | O=C1NC[C@H](CO)[C@@H](O)[C@@H]1O | 161.157 | -2.5535 | 89.79 | 1 | 11 | 4 | 4 | 0.340539 |
2vk2 | 1.2 | 2,009 | GZL | A | 1298 | kd | = | 0.13 | uM | -6.886057 | MOAD | Kd=0.13uM | P39325 | ABC TRANSPORTER PERIPLASMIC-BINDING PROTEIN YTFQ | OC[C@@H](O)[C@@H]1O[C@@H](O)[C@@H](O)[C@H]1O | 180.156 | -3.2214 | 110.38 | 2 | 12 | 5 | 6 | 0.30556 |
2vkm | 2.05 | 2,008 | BSD | A | 1386 | ki | = | 1.8 | nM | -8.744727 | MOAD | Ki=1.8nM | P56817 | BETA-SECRETASE 1 | COc1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(C(=O)N[C@H](C)c3ccccc3)cc(N(C)S(C)(=O)=O)c2)c1 | 659.829 | 3.0476 | 141.65 | 15 | 47 | 4 | 6 | 0.154701 |
2vkm | 2.05 | 2,008 | BSD | B | 1386 | ki | = | 1.8 | nM | -8.744727 | MOAD | Ki=1.8nM | P56817 | BETA-SECRETASE 1 | COc1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(C(=O)N[C@H](C)c3ccccc3)cc(N(C)S(C)(=O)=O)c2)c1 | 659.829 | 3.0476 | 141.65 | 15 | 47 | 4 | 6 | 0.154701 |
2vkm | 2.05 | 2,008 | BSD | C | 1386 | ki | = | 1.8 | nM | -8.744727 | MOAD | Ki=1.8nM | P56817 | BETA-SECRETASE 1 | COc1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(C(=O)N[C@H](C)c3ccccc3)cc(N(C)S(C)(=O)=O)c2)c1 | 659.829 | 3.0476 | 141.65 | 15 | 47 | 4 | 6 | 0.154701 |
2vkm | 2.05 | 2,008 | BSD | D | 1386 | ki | = | 1.8 | nM | -8.744727 | MOAD | Ki=1.8nM | P56817 | BETA-SECRETASE 1 | COc1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(C(=O)N[C@H](C)c3ccccc3)cc(N(C)S(C)(=O)=O)c2)c1 | 659.829 | 3.0476 | 141.65 | 15 | 47 | 4 | 6 | 0.154701 |
2vku | 1.95 | 2,008 | DBE | A | 1446 | kd | = | 29.5 | uM | -4.530178 | MOAD | Kd=29.5uM | P9WPP9 | CYTOCHROME P450 51 | O=C(c1ccc(O)cc1)c1ccc(O)cc1 | 214.22 | 2.3288 | 57.53 | 2 | 16 | 2 | 3 | 0.754118 |
2vku | 1.95 | 2,008 | DBE | A | 1449 | kd | = | 29.5 | uM | -4.530178 | MOAD | Kd=29.5uM | P9WPP9 | CYTOCHROME P450 51 | O=C(c1ccc(O)cc1)c1ccc(O)cc1 | 214.22 | 2.3288 | 57.53 | 2 | 16 | 2 | 3 | 0.754118 |
2vku | 1.95 | 2,008 | DBE | A | 1447 | kd | = | 29.5 | uM | -4.530178 | MOAD | Kd=29.5uM | P9WPP9 | CYTOCHROME P450 51 | O=C(c1ccc(O)cc1)c1ccc(O)cc1 | 214.22 | 2.3288 | 57.53 | 2 | 16 | 2 | 3 | 0.754118 |
2vku | 1.95 | 2,008 | DBE | A | 1448 | kd | = | 29.5 | uM | -4.530178 | MOAD | Kd=29.5uM | P9WPP9 | CYTOCHROME P450 51 | O=C(c1ccc(O)cc1)c1ccc(O)cc1 | 214.22 | 2.3288 | 57.53 | 2 | 16 | 2 | 3 | 0.754118 |
2vkv | 1.74 | 2,008 | TDC | A | 1206 | kd | = | 0 | M | -7.653213 | MOAD | Ka=45000000.0M^-1 | P0ACT4 | TETRACYCLINE REPRESSOR PROTEIN CLASS B FROM TRANSPOSON TN10, TETRACYCLINE REPRESSOR PROTEIN CLASS D | Cc1c2c(c(O)c3c(O)cccc13)C(=O)[C@]1(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]1C2 | 426.425 | -2.15898 | 165.42 | 2 | 31 | 5 | 7 | 0.269459 |
2vl4 | 1.9 | 2,008 | MNM | B | 1868 | ki | = | 975 | nM | -6.010995 | MOAD | Ki=975.0nM | Q8AAK6 | BETA-MANNOSIDASE | OC[C@H]1C[NH2+][C@@H](O)[C@@H](O)[C@@H]1O | 164.181 | -3.7879 | 97.53 | 1 | 11 | 5 | 4 | 0.274501 |
2vl4 | 1.9 | 2,008 | MNM | A | 1865 | ki | = | 975 | nM | -6.010995 | MOAD | Ki=975.0nM | Q8AAK6 | BETA-MANNOSIDASE | OC[C@H]1C[NH2+][C@@H](O)[C@@H](O)[C@@H]1O | 164.181 | -3.7879 | 97.53 | 1 | 11 | 5 | 4 | 0.274501 |
2vl8 | 2.31 | 2,008 | CTS | C | 1544 | ic50 | ~ | 30 | uM | -4.522879 | MOAD | ic50~30.0uM | Q46342 | CYTOTOXIN L | O[C@H]1[C@H](O)[C@@H](O)C[N@@H+]2CC[C@H](O)[C@H]12 | 190.219 | -3.8992 | 85.36 | 0 | 13 | 5 | 4 | 0.270221 |
2vl8 | 2.31 | 2,008 | CTS | B | 1544 | ic50 | ~ | 30 | uM | -4.522879 | MOAD | ic50~30.0uM | Q46342 | CYTOTOXIN L | O[C@H]1[C@H](O)[C@@H](O)C[N@@H+]2CC[C@H](O)[C@H]12 | 190.219 | -3.8992 | 85.36 | 0 | 13 | 5 | 4 | 0.270221 |
2vl8 | 2.31 | 2,008 | CTS | A | 1544 | ic50 | ~ | 30 | uM | -4.522879 | MOAD | ic50~30.0uM | Q46342 | CYTOTOXIN L | O[C@H]1[C@H](O)[C@@H](O)C[N@@H+]2CC[C@H](O)[C@H]12 | 190.219 | -3.8992 | 85.36 | 0 | 13 | 5 | 4 | 0.270221 |
2vle | 2.4 | 2,008 | DZN | D | 1501 | ic50 | = | 80 | nM | -7.09691 | BindingDB | IC50=80nM | P05091,P05091,P05091 | ALDEHYDE DEHYDROGENASE, MITOCHONDRIAL,ALDEHYDE DEHYDROGENASE, MITOCHONDRIAL,ALDEHYDE DEHYDROGENASE, MITOCHONDRIAL | O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12 | 416.382 | 0.3443 | 149.82 | 4 | 30 | 5 | 9 | 0.405748 |
2vle | 2.4 | 2,008 | DZN | H | 1501 | ic50 | = | 80 | nM | -7.09691 | BindingDB | IC50=80nM | P05091,P05091,P05091 | ALDEHYDE DEHYDROGENASE, MITOCHONDRIAL,ALDEHYDE DEHYDROGENASE, MITOCHONDRIAL,ALDEHYDE DEHYDROGENASE, MITOCHONDRIAL | O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12 | 416.382 | 0.3443 | 149.82 | 4 | 30 | 5 | 9 | 0.405748 |
2vle | 2.4 | 2,008 | DZN | G | 1501 | ic50 | = | 80 | nM | -7.09691 | BindingDB | IC50=80nM | P05091,P05091,P05091 | ALDEHYDE DEHYDROGENASE, MITOCHONDRIAL,ALDEHYDE DEHYDROGENASE, MITOCHONDRIAL,ALDEHYDE DEHYDROGENASE, MITOCHONDRIAL | O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12 | 416.382 | 0.3443 | 149.82 | 4 | 30 | 5 | 9 | 0.405748 |
2vle | 2.4 | 2,008 | DZN | F | 1501 | ic50 | = | 80 | nM | -7.09691 | BindingDB | IC50=80nM | P05091,P05091,P05091 | ALDEHYDE DEHYDROGENASE, MITOCHONDRIAL,ALDEHYDE DEHYDROGENASE, MITOCHONDRIAL,ALDEHYDE DEHYDROGENASE, MITOCHONDRIAL | O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12 | 416.382 | 0.3443 | 149.82 | 4 | 30 | 5 | 9 | 0.405748 |
2vle | 2.4 | 2,008 | DZN | C | 1501 | ic50 | = | 80 | nM | -7.09691 | BindingDB | IC50=80nM | P05091,P05091,P05091 | ALDEHYDE DEHYDROGENASE, MITOCHONDRIAL,ALDEHYDE DEHYDROGENASE, MITOCHONDRIAL,ALDEHYDE DEHYDROGENASE, MITOCHONDRIAL | O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12 | 416.382 | 0.3443 | 149.82 | 4 | 30 | 5 | 9 | 0.405748 |
2vle | 2.4 | 2,008 | DZN | E | 1501 | ic50 | = | 80 | nM | -7.09691 | BindingDB | IC50=80nM | P05091,P05091,P05091 | ALDEHYDE DEHYDROGENASE, MITOCHONDRIAL,ALDEHYDE DEHYDROGENASE, MITOCHONDRIAL,ALDEHYDE DEHYDROGENASE, MITOCHONDRIAL | O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12 | 416.382 | 0.3443 | 149.82 | 4 | 30 | 5 | 9 | 0.405748 |
2vle | 2.4 | 2,008 | DZN | B | 1501 | ic50 | = | 80 | nM | -7.09691 | BindingDB | IC50=80nM | P05091,P05091,P05091 | ALDEHYDE DEHYDROGENASE, MITOCHONDRIAL,ALDEHYDE DEHYDROGENASE, MITOCHONDRIAL,ALDEHYDE DEHYDROGENASE, MITOCHONDRIAL | O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12 | 416.382 | 0.3443 | 149.82 | 4 | 30 | 5 | 9 | 0.405748 |
2vle | 2.4 | 2,008 | DZN | A | 1501 | ic50 | = | 80 | nM | -7.09691 | BindingDB | IC50=80nM | P05091,P05091,P05091 | ALDEHYDE DEHYDROGENASE, MITOCHONDRIAL,ALDEHYDE DEHYDROGENASE, MITOCHONDRIAL,ALDEHYDE DEHYDROGENASE, MITOCHONDRIAL | O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12 | 416.382 | 0.3443 | 149.82 | 4 | 30 | 5 | 9 | 0.405748 |
2vmc | 1.9 | 2,008 | A2G | A | 501 | kd | = | 1.15 | mM | -2.939302 | MOAD | Kd=1.15mM | P42530 | DISCOIDIN-2 | CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O | 221.209 | -3.0776 | 119.25 | 2 | 15 | 5 | 6 | 0.337239 |
2vmd | 1.9 | 2,008 | MBG | A | 501 | kd | = | 0.95 | mM | -3.022276 | MOAD | Kd=0.95mM | P42530 | DISCOIDIN-2 | CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O | 194.183 | -2.5673 | 99.38 | 2 | 13 | 4 | 6 | 0.385501 |
2vmf | 2.1 | 2,008 | MVL | A | 1865 | ki | = | 1,400 | nM | -5.853872 | MOAD | Ki=1400.0nM | Q8AAK6 | BETA-MANNOSIDASE | OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn21 | 200.194 | -1.8147 | 98.74 | 1 | 14 | 4 | 6 | 0.427842 |
2vmf | 2.1 | 2,008 | MVL | B | 1868 | ki | = | 1,400 | nM | -5.853872 | MOAD | Ki=1400.0nM | Q8AAK6 | BETA-MANNOSIDASE | OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn21 | 200.194 | -1.8147 | 98.74 | 1 | 14 | 4 | 6 | 0.427842 |
2vmg | 1.9 | 2,008 | MBG | A | 1179 | kd | = | 0.002083 | M | -2.681241 | MOAD | Ka=480.0M^-1 | A0A0H2YQB3 | FIBRONECTIN TYPE III DOMAIN PROTEIN | CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O | 194.183 | -2.5673 | 99.38 | 2 | 13 | 4 | 6 | 0.385501 |
2vnh | 2.27 | 2,008 | NAP | A | 274 | kd | = | 222 | uM | -3.653647 | MOAD | Kd=222.0uM | Q9L6V3 | NADPH\:FERREDOXIN REDUCTASE | NC(=O)c1ccc[n+]([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)c1 | 740.385 | -5.4269 | 376.11 | 13 | 48 | 5 | 22 | 0.080579 |
2vni | 2.24 | 2,008 | A2P | A | 274 | kd | = | 204 | uM | -3.69037 | MOAD | Kd=204.0uM | Q9L6V3 | NADPH\:FERREDOXIN REDUCTASE | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1OP(=O)([O-])[O-] | 423.171 | -4.274 | 243.92 | 6 | 27 | 2 | 15 | 0.417714 |
2vnj | 2.13 | 2,008 | NAP | A | 274 | kd | = | 222 | uM | -3.653647 | MOAD | Kd=222.0uM | Q9L6V3 | NADPH\:FERREDOXIN REDUCTASE | NC(=O)c1ccc[n+]([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)c1 | 740.385 | -5.4269 | 376.11 | 13 | 48 | 5 | 22 | 0.080579 |
2vnm | 1.79 | 2,008 | CM8 | A | 2000 | ic50 | = | 3 | nM | -8.522879 | MOAD | ic50=3.0nM | P56817 | BETA-SECRETASE 1 | CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(C(F)(F)F)c2)cc(N2CCCCS2(=O)=O)c1 | 619.73 | 3.5328 | 115.35 | 12 | 43 | 4 | 5 | 0.247791 |
2vnm | 1.79 | 2,008 | CM8 | A | 2001 | ic50 | = | 3 | nM | -8.522879 | MOAD | ic50=3.0nM | P56817 | BETA-SECRETASE 1 | CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(C(F)(F)F)c2)cc(N2CCCCS2(=O)=O)c1 | 619.73 | 3.5328 | 115.35 | 12 | 43 | 4 | 5 | 0.247791 |
2vnn | 1.87 | 2,008 | CM7 | A | 2000 | ic50 | = | 2 | nM | -8.69897 | MOAD | ic50=2.0nM | P56817 | BETA-SECRETASE 1 | CCc1cn2c3c(cc(C(=O)N[C@@H](Cc4ccccc4)[C@H](O)C[NH2+]Cc4cccc(C(F)(F)F)c4)cc13)N(C)S(=O)(=O)CC2 | 629.725 | 3.4677 | 108.25 | 10 | 44 | 3 | 5 | 0.249843 |
2vnp | 2.19 | 2,008 | DED | B | 1186 | ki | = | 0.12 | nM | -9.920819 | MOAD | Ki=0.12nM | Q46822 | ISOPENTENYL-DIPHOSPHATE DELTA-ISOMERASE | C[NH+](C)CCO[P@@](=O)([O-])OP(=O)([O-])[O-] | 247.08 | -3.5388 | 126.22 | 6 | 14 | 1 | 7 | 0.48138 |
2vnp | 2.19 | 2,008 | DED | A | 1182 | ki | = | 0.12 | nM | -9.920819 | MOAD | Ki=0.12nM | Q46822 | ISOPENTENYL-DIPHOSPHATE DELTA-ISOMERASE | C[NH+](C)CCO[P@@](=O)([O-])OP(=O)([O-])[O-] | 247.08 | -3.5388 | 126.22 | 6 | 14 | 1 | 7 | 0.48138 |
2vnt | 2.2 | 2,008 | QGG | A | 1258 | ki | = | 9.9 | nM | -8.004365 | MOAD | Ki=9.9nM | P00749,P00749 | UROKINASE-TYPE PLASMINOGEN ACTIVATOR,UROKINASE-TYPE PLASMINOGEN ACTIVATOR | NC(N)=[NH+]c1ncc(Cl)c2ccc(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])cc12 | 397.844 | -2.2233 | 156.41 | 4 | 26 | 3 | 5 | 0.389133 |
2vnt | 2.2 | 2,008 | QGG | B | 1258 | ki | = | 9.9 | nM | -8.004365 | MOAD | Ki=9.9nM | P00749,P00749 | UROKINASE-TYPE PLASMINOGEN ACTIVATOR,UROKINASE-TYPE PLASMINOGEN ACTIVATOR | NC(N)=[NH+]c1ncc(Cl)c2ccc(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])cc12 | 397.844 | -2.2233 | 156.41 | 4 | 26 | 3 | 5 | 0.389133 |
2vnt | 2.2 | 2,008 | QGG | C | 1258 | ki | = | 9.9 | nM | -8.004365 | MOAD | Ki=9.9nM | P00749,P00749 | UROKINASE-TYPE PLASMINOGEN ACTIVATOR,UROKINASE-TYPE PLASMINOGEN ACTIVATOR | NC(N)=[NH+]c1ncc(Cl)c2ccc(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])cc12 | 397.844 | -2.2233 | 156.41 | 4 | 26 | 3 | 5 | 0.389133 |
2vnt | 2.2 | 2,008 | QGG | D | 1258 | ki | = | 9.9 | nM | -8.004365 | MOAD | Ki=9.9nM | P00749,P00749 | UROKINASE-TYPE PLASMINOGEN ACTIVATOR,UROKINASE-TYPE PLASMINOGEN ACTIVATOR | NC(N)=[NH+]c1ncc(Cl)c2ccc(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])cc12 | 397.844 | -2.2233 | 156.41 | 4 | 26 | 3 | 5 | 0.389133 |
2vnt | 2.2 | 2,008 | QGG | E | 1258 | ki | = | 9.9 | nM | -8.004365 | MOAD | Ki=9.9nM | P00749,P00749 | UROKINASE-TYPE PLASMINOGEN ACTIVATOR,UROKINASE-TYPE PLASMINOGEN ACTIVATOR | NC(N)=[NH+]c1ncc(Cl)c2ccc(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])cc12 | 397.844 | -2.2233 | 156.41 | 4 | 26 | 3 | 5 | 0.389133 |
2vnt | 2.2 | 2,008 | QGG | F | 1258 | ki | = | 9.9 | nM | -8.004365 | MOAD | Ki=9.9nM | P00749,P00749 | UROKINASE-TYPE PLASMINOGEN ACTIVATOR,UROKINASE-TYPE PLASMINOGEN ACTIVATOR | NC(N)=[NH+]c1ncc(Cl)c2ccc(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])cc12 | 397.844 | -2.2233 | 156.41 | 4 | 26 | 3 | 5 | 0.389133 |
2vnv | 1.7 | 2,008 | MMA | A | 201 | kd | = | 2.75 | uM | -5.560667 | MOAD | Kd=2.75uM | B4EH87,B4EH87,B4EH87,B4EH87 | BCLA,BCLA,BCLA,BCLA | CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O | 194.183 | -2.5673 | 99.38 | 2 | 13 | 4 | 6 | 0.385501 |
2vnv | 1.7 | 2,008 | MMA | B | 201 | kd | = | 2.75 | uM | -5.560667 | MOAD | Kd=2.75uM | B4EH87,B4EH87 | BCLA,BCLA | CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O | 194.183 | -2.5673 | 99.38 | 2 | 13 | 4 | 6 | 0.385501 |
2vnv | 1.7 | 2,008 | MMA | C | 201 | kd | = | 2.75 | uM | -5.560667 | MOAD | Kd=2.75uM | B4EH87,B4EH87 | BCLA,BCLA | CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O | 194.183 | -2.5673 | 99.38 | 2 | 13 | 4 | 6 | 0.385501 |
2vnv | 1.7 | 2,008 | MMA | D | 201 | kd | = | 2.75 | uM | -5.560667 | MOAD | Kd=2.75uM | B4EH87,B4EH87,B4EH87,B4EH87 | BCLA,BCLA,BCLA,BCLA | CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O | 194.183 | -2.5673 | 99.38 | 2 | 13 | 4 | 6 | 0.385501 |
2vnv | 1.7 | 2,008 | MMA | E | 201 | kd | = | 2.75 | uM | -5.560667 | MOAD | Kd=2.75uM | B4EH87 | BCLA | CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O | 194.183 | -2.5673 | 99.38 | 2 | 13 | 4 | 6 | 0.385501 |
2vo5 | 2.3 | 2,008 | VBZ | B | 1868 | ki | = | 13 | uM | -4.886057 | MOAD | Ki=13.0uM | Q8AAK6 | BETA-MANNOSIDASE | OC[C@H]1C[C@@H]2[C@@H](O)[C@@H](O)[C@@]1(O)C[N@@H+]2Cc1ccccc1 | 280.344 | -2.0812 | 85.36 | 3 | 20 | 5 | 4 | 0.439846 |
2vo5 | 2.3 | 2,008 | VBZ | A | 1865 | ki | = | 13 | uM | -4.886057 | MOAD | Ki=13.0uM | Q8AAK6 | BETA-MANNOSIDASE | OC[C@H]1C[C@@H]2[C@@H](O)[C@@H](O)[C@@]1(O)C[N@@H+]2Cc1ccccc1 | 280.344 | -2.0812 | 85.36 | 3 | 20 | 5 | 4 | 0.439846 |
2vo7 | 1.98 | 2,008 | M05 | A | 1351 | ic50 | = | 168 | nM | -6.774691 | MOAD | ic50=168.0nM | P00517 | CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT | [NH3+]C1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1 | 342.854 | 2.4349 | 72.45 | 3 | 24 | 2 | 3 | 0.76749 |
2vo7 | 1.98 | 2,008 | M05 | A | 1352 | ic50 | = | 168 | nM | -6.774691 | MOAD | ic50=168.0nM | P00517,P61925 | CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT,CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA | [NH3+]C1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1 | 342.854 | 2.4349 | 72.45 | 3 | 24 | 2 | 3 | 0.76749 |
2vot | 1.95 | 2,008 | NHV | A | 1865 | ki | = | 72 | nM | -7.142668 | MOAD | Ki=72.0nM | Q8AAK6 | BETA-MANNOSIDASE | OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2[nH]c(CNc3ccccc3)c[n+]21 | 306.342 | -0.7835 | 112.62 | 4 | 22 | 6 | 5 | 0.414867 |
2vot | 1.95 | 2,008 | NHV | B | 1868 | ki | = | 72 | nM | -7.142668 | MOAD | Ki=72.0nM | Q8AAK6 | BETA-MANNOSIDASE | OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2[nH]c(CNc3ccccc3)c[n+]21 | 306.342 | -0.7835 | 112.62 | 4 | 22 | 6 | 5 | 0.414867 |
2vpn | 1.55 | 2,008 | 4CS | A | 1311 | kd | = | 0.19 | uM | -6.721246 | MOAD | Kd=0.19uM | E1VBK1 | PERIPLASMIC SUBSTRATE BINDING PROTEIN | CC1=[NH+][C@H](C(=O)[O-])CCN1 | 142.158 | -3.4028 | 66.13 | 1 | 10 | 2 | 3 | 0.400802 |
2vpn | 1.55 | 2,008 | 4CS | B | 1311 | kd | = | 0.19 | uM | -6.721246 | MOAD | Kd=0.19uM | E1VBK1 | PERIPLASMIC SUBSTRATE BINDING PROTEIN | CC1=[NH+][C@H](C(=O)[O-])CCN1 | 142.158 | -3.4028 | 66.13 | 1 | 10 | 2 | 3 | 0.400802 |
2vpo | 1.8 | 2,008 | 6CS | A | 1312 | kd | = | 3.8 | uM | -5.420216 | MOAD | Kd=3.8uM | E1VBK1 | PERIPLASMIC SUBSTRATE BINDING PROTEIN | CC1=[NH+][C@H](C(=O)[O-])[C@@H](O)CN1 | 158.157 | -4.432 | 86.36 | 1 | 11 | 3 | 4 | 0.359229 |
2vpo | 1.8 | 2,008 | 6CS | B | 1312 | kd | = | 3.8 | uM | -5.420216 | MOAD | Kd=3.8uM | E1VBK1 | PERIPLASMIC SUBSTRATE BINDING PROTEIN | CC1=[NH+][C@H](C(=O)[O-])[C@@H](O)CN1 | 158.157 | -4.432 | 86.36 | 1 | 11 | 3 | 4 | 0.359229 |
2vqm | 1.8 | 2,008 | HA3 | A | 1410 | ic50 | = | 978 | nM | -6.009661 | MOAD | ic50=978.0nM | P56524 | HISTONE DEACETYLASE 4 | O=C(NO)c1ccc(C(=O)N2CCn3c(-c4ccccc4)cnc3C2)s1 | 368.418 | 2.3866 | 87.46 | 3 | 26 | 2 | 6 | 0.548871 |
2vqo | 2.15 | 2,008 | TFG | A | 1410 | ic50 | = | 317 | nM | -6.498941 | MOAD | ic50=317.0nM | P56524,P56524 | HISTONE DEACETYLASE 4,HISTONE DEACETYLASE 4 | O=C(c1ccc(C(O)(O)C(F)(F)F)s1)N1CCn2c(-c3ccccc3)cnc2C1 | 423.416 | 2.9673 | 78.59 | 3 | 29 | 2 | 6 | 0.635294 |
2vqo | 2.15 | 2,008 | TFG | B | 1409 | ic50 | = | 317 | nM | -6.498941 | MOAD | ic50=317.0nM | P56524,P56524 | HISTONE DEACETYLASE 4,HISTONE DEACETYLASE 4 | O=C(c1ccc(C(O)(O)C(F)(F)F)s1)N1CCn2c(-c3ccccc3)cnc2C1 | 423.416 | 2.9673 | 78.59 | 3 | 29 | 2 | 6 | 0.635294 |
2vqq | 1.9 | 2,008 | TFG | A | 1410 | ic50 | = | 367 | nM | -6.435334 | MOAD | ic50=367.0nM | P56524,P56524 | HISTONE DEACETYLASE 4,HISTONE DEACETYLASE 4 | O=C(c1ccc(C(O)(O)C(F)(F)F)s1)N1CCn2c(-c3ccccc3)cnc2C1 | 423.416 | 2.9673 | 78.59 | 3 | 29 | 2 | 6 | 0.635294 |
2vqq | 1.9 | 2,008 | TFG | B | 1409 | ic50 | = | 367 | nM | -6.435334 | MOAD | ic50=367.0nM | P56524,P56524 | HISTONE DEACETYLASE 4,HISTONE DEACETYLASE 4 | O=C(c1ccc(C(O)(O)C(F)(F)F)s1)N1CCn2c(-c3ccccc3)cnc2C1 | 423.416 | 2.9673 | 78.59 | 3 | 29 | 2 | 6 | 0.635294 |
2vqt | 2.1 | 2,008 | 15A | A | 1865 | ki | = | 1 | uM | -6 | MOAD | Ki=1.0uM | Q8AAK6 | BETA-MANNOSIDASE | [NH3+]CC[NH+]=C1N[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O | 221.257 | -6.2458 | 134.56 | 3 | 15 | 7 | 4 | 0.254384 |
2vqt | 2.1 | 2,008 | 15A | B | 1867 | ki | = | 1 | uM | -6 | MOAD | Ki=1.0uM | Q8AAK6 | BETA-MANNOSIDASE | [NH3+]CC[NH+]=C1N[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O | 221.257 | -6.2458 | 134.56 | 3 | 15 | 7 | 4 | 0.254384 |
2vqu | 1.9 | 2,008 | NOY | A | 1866 | ki | = | 975 | nM | -6.010995 | MOAD | Ki=975.0nM | Q8AAK6 | BETA-MANNOSIDASE | OC[C@H]1C[NH2+][C@H](O)[C@@H](O)[C@@H]1O | 164.181 | -3.7879 | 97.53 | 1 | 11 | 5 | 4 | 0.274501 |
2vqu | 1.9 | 2,008 | NOY | B | 1869 | ki | = | 975 | nM | -6.010995 | MOAD | Ki=975.0nM | Q8AAK6 | BETA-MANNOSIDASE | OC[C@H]1C[NH2+][C@H](O)[C@@H](O)[C@@H]1O | 164.181 | -3.7879 | 97.53 | 1 | 11 | 5 | 4 | 0.274501 |
2vr4 | 1.8 | 2,008 | 17B | A | 1865 | ki | = | 2.1 | uM | -5.677781 | MOAD | Ki=2.1uM | Q8AAK6 | BETA-MANNOSIDASE | [NH3+]CCCC[NH+]=C1N[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O | 249.311 | -5.4656 | 134.56 | 5 | 17 | 7 | 4 | 0.244039 |
2vr4 | 1.8 | 2,008 | 17B | B | 1869 | ki | = | 2.1 | uM | -5.677781 | MOAD | Ki=2.1uM | Q8AAK6 | BETA-MANNOSIDASE | [NH3+]CCCC[NH+]=C1N[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O | 249.311 | -5.4656 | 134.56 | 5 | 17 | 7 | 4 | 0.244039 |
2vrj | 1.9 | 2,008 | NCW | A | 1446 | kd | = | 0.5 | uM | -6.30103 | MOAD | Kd=0.5uM | Q08638,Q08638 | BETA-GLUCOSIDASE A,BETA-GLUCOSIDASE A | CCCCCCCCNC(=S)N1[C@@H]2OC[C@H]1[C@@H](O)[C@H](O)[C@H]2O | 332.466 | 0.3446 | 85.19 | 7 | 22 | 4 | 5 | 0.395197 |
2vrj | 1.9 | 2,008 | NCW | B | 1446 | kd | = | 0.5 | uM | -6.30103 | MOAD | Kd=0.5uM | Q08638 | BETA-GLUCOSIDASE A | CCCCCCCCNC(=S)N1[C@@H]2OC[C@H]1[C@@H](O)[C@H](O)[C@H]2O | 332.466 | 0.3446 | 85.19 | 7 | 22 | 4 | 5 | 0.395197 |
2vrx | 1.86 | 2,008 | 447 | B | 1356 | ic50 | = | 45 | nM | -7.346787 | BindingDB | IC50=45nM | O13024,Q6DE08 | INNER CENTROMERE PROTEIN A,SERINE/THREONINE-PROTEIN KINASE 12-A | COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCC[NH+]1CCOCC1 | 514.606 | 3.3183 | 99.04 | 10 | 38 | 3 | 7 | 0.279381 |
2vrx | 1.86 | 2,008 | 447 | A | 1356 | ic50 | = | 45 | nM | -7.346787 | BindingDB | IC50=45nM | Q6DE08,O13024 | SERINE/THREONINE-PROTEIN KINASE 12-A,INNER CENTROMERE PROTEIN A | COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCC[NH+]1CCOCC1 | 514.606 | 3.3183 | 99.04 | 10 | 38 | 3 | 7 | 0.279381 |
2vsr | 2.05 | 2,008 | 9HO | A | 1477 | kd | = | 2,000 | nM | -5.69897 | BindingDB | Kd=2000nM | P37231 | PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA | CCCCC/C=C\C=C\[C@@H](O)CCCCCCCC(=O)[O-] | 295.443 | 3.5206 | 60.36 | 14 | 21 | 1 | 3 | 0.39382 |
2vsr | 2.05 | 2,008 | 9HO | B | 1476 | kd | = | 2,000 | nM | -5.69897 | BindingDB | Kd=2000nM | P37231 | PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA | CCCCC/C=C\C=C\[C@@H](O)CCCCCCCC(=O)[O-] | 295.443 | 3.5206 | 60.36 | 14 | 21 | 1 | 3 | 0.39382 |
2vta | 2.0 | 2,008 | LZ1 | A | 1301 | ic50 | = | 185 | uM | -3.732828 | MOAD | ic50=185.0uM | P24941 | CELL DIVISION PROTEIN KINASE 2 | c1ccc2[nH]ncc2c1 | 118.139 | 1.5629 | 28.68 | 0 | 9 | 1 | 1 | 0.558373 |
2vtd | 1.94 | 2,008 | LKM | A | 1441 | ic50 | = | 85 | uM | -4.070581 | MOAD | ic50=85.0uM | P14900 | UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE | N#Cc1ccc(COc2ccc3cc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])ccc3c2)c(F)c1 | 484.461 | 0.35648 | 159.45 | 10 | 34 | 1 | 8 | 0.431594 |
2vte | 2.2 | 2,008 | IK4 | A | 1440 | ic50 | = | 122 | uM | -3.91364 | MOAD | ic50=122.0uM | P14900 | UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE | N#Cc1ccc(COc2ccc3ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3c2)cc1 | 466.471 | 0.21738 | 159.45 | 10 | 33 | 1 | 8 | 0.44395 |
2vth | 1.9 | 2,008 | LZ2 | A | 1300 | ic50 | = | 120 | uM | -3.920819 | MOAD | ic50=120.0uM | P24941 | CELL DIVISION PROTEIN KINASE 2 | NS(=O)(=O)c1cccc2c(O)cccc12 | 223.253 | 1.1928 | 80.39 | 1 | 15 | 2 | 3 | 0.761649 |
2vti | 2.0 | 2,008 | LZ3 | A | 1299 | ic50 | = | 0.66 | uM | -6.180456 | MOAD | ic50=0.66uM | P24941 | CELL DIVISION PROTEIN KINASE 2 | NS(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccccc23)cc1 | 316.342 | 1.4626 | 117.94 | 3 | 22 | 3 | 4 | 0.67757 |
2vtj | 2.2 | 2,008 | LZ4 | A | 1300 | ic50 | = | 1.9 | uM | -5.721246 | MOAD | ic50=1.9uM | P24941 | CELL DIVISION PROTEIN KINASE 2 | NS(=O)(=O)c1ccc(Nc2cncc(Cl)n2)cc1 | 284.728 | 1.521 | 97.97 | 3 | 18 | 2 | 5 | 0.890306 |
2vtl | 2.0 | 2,008 | LZ5 | A | 1299 | ic50 | = | 97 | uM | -4.013228 | MOAD | ic50=97.0uM | P24941 | CELL DIVISION PROTEIN KINASE 2 | O=C(Nc1ccccc1)c1cc[nH]n1 | 187.202 | 1.662 | 57.78 | 2 | 14 | 2 | 2 | 0.750739 |
2vtm | 2.25 | 2,008 | LZM | A | 1299 | ic50 | ~ | 1 | mM | -3 | MOAD | ic50~1.0mM | P24941 | CELL DIVISION PROTEIN KINASE 2 | N#Cc1cnn2cccnc12 | 144.137 | 0.60098 | 53.98 | 0 | 11 | 0 | 4 | 0.543658 |
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