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P04818 | TYSY_HUMAN | Thymidylate synthase (TYMS)

3D structures mapped by conservation among orthologs



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL169896 OBDepict OH O N H O HO O N H N O N H CH 3 Ki = 0.09 nM 500.51 Cc1nc2ccc3ccc(CNc4ccc5c(c4)CN([C@@H](CCC(=O)O)C(=O)O)C5=O)cc3c2c(=O)[nH]1 Homo sapiens CHEMBL811584 single protein format
CHEMBL355323 OBDepict HO O NH H O OH O F NH HO N N CH 3 Ki = 0.09 nM 506.49 Cc1nc(O)c2c(ccc3ccc(CNc4ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c(F)c4)cc32)n1 Homo sapiens CHEMBL811584 single protein format
CHEMBL166027 OBDepict OH O N H H O HO O S CH 3 OH N N H 2 N Ki = 0.124 nM 456.48 Cc1ccc2nc(N)nc(O)c2c1Sc1ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc1 Homo sapiens CHEMBL823518 single protein format
CHEMBL168907 OBDepict HO O NH H O OH O NH HO N N CH 3 Ki = 0.44 nM 488.5 Cc1nc(O)c2c(ccc3ccc(CNc4ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc4)cc32)n1 Homo sapiens CHEMBL811585 single protein format
CHEMBL169506 OBDepict HO O N H H O OH O S N H HO N N CH 3 Ki = 1.1 nM 494.53 Cc1nc(O)c2c(ccc3ccc(CNc4ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s4)cc32)n1 Homo sapiens CHEMBL811584 single protein format
CHEMBL355662 OBDepict HO O NH H O OH O NH HO N N NH 2 Ki = 1.2 nM 489.49 Nc1nc(O)c2c(ccc3ccc(CNc4ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc4)cc32)n1 Homo sapiens CHEMBL811585 single protein format
CHEMBL166369 OBDepict OH O N H H O HO O S CH 3 OH N N H 3 C Ki = 1.31 nM 455.49 Cc1nc(O)c2c(Sc3ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc3)c(C)ccc2n1 Homo sapiens CHEMBL823518 single protein format
CHEMBL9671 OBDepict H 3 C N H N H 3 C N CH 3 S N O O O Ki = 2.0 nM 464.59 CNC1=Nc2ccc(N(C)Cc3ccc(S(=O)(=O)N4CCOCC4)cc3)c3c(C)ccc1c23 Homo sapiens CHEMBL811592 single protein format
CHEMBL4531593 OBDepict HC N F CH 3 HN O N O N H H H 3 C O OH N N N N O OH IC50 = 2.4 nM 576.55 C#CN(Cc1cc2c(=O)[nH]c(C)nc2cc1C)c1ccc(C(=O)N[C@@H](CCc2nnnn2CC(=O)O)C(=O)O)c(F)c1 Homo sapiens CHEMBL4365308 single protein format
CHEMBL355616 OBDepict HO O N H O OH O N CH 3 OH N N H 3 C Ki = 2.5 nM 514.54 Cc1nc(O)c2c(ccc3ccc(CN(C)c4ccc5c(c4)CN([C@@H](CCC(=O)O)C(=O)O)C5=O)cc32)n1 Homo sapiens CHEMBL811584 single protein format
CHEMBL325972 OBDepict OH O HN H O HO O HN S O O OH N N H 2 N Ki = 2.5 nM 541.54 Nc1nc(O)c2c(n1)CCc1ccc(S(=O)(=O)Nc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc1-2 Homo sapiens CHEMBL811594 cell-based format
CHEMBL3099582 OBDepict NH 2 N N H N O H S Ki = 3.3 nM 358.43 Nc1nc2[nH]c3cccc(Sc4ccc5ccccc5c4)c3c2c(=O)[nH]1 Homo sapiens CHEMBL3101466 single protein format
CHEMBL167164 OBDepict HO O N H S O HO O N H HO N N CH 3 Ki = 4.0 nM 518.55 Cc1nc(O)c2c(ccc3ccc(CNc4ccc5c(=O)n([C@@H](CCC(=O)O)C(=O)O)sc5c4)cc32)n1 Homo sapiens CHEMBL811584 single protein format
CHEMBL55263 OBDepict H 3 C N N CH 3 CH 3 N NH 2 Ki = 4.0 nM 316.41 Cc1cc(CN(C)c2ccc3c4c(ccc(C)c24)C(N)=N3)ccn1 Homo sapiens CHEMBL815566 single protein format
CHEMBL253954 OBDepict F N O N H O H O H F H H OH O P O OH HO Ki = 4.77 nM 344.16 O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]2F)cc1F Homo sapiens CHEMBL922719 single protein format
CHEMBL324739 OBDepict OH O HN H O HO O HN S O O OH N N H 3 C Ki = 5.5 nM 538.54 Cc1nc(O)c2c(ccc3ccc(S(=O)(=O)Nc4ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc4)cc32)n1 Homo sapiens CHEMBL811584 single protein format
CHEMBL56523 OBDepict CH 3 N CH 3 N N H 2 N Ki = 6.0 nM 302.38 Cc1ccc2c3c(ccc(N(C)Cc4ccncc4)c13)N=C2N Homo sapiens CHEMBL815566 single protein format
CHEMBL168524 OBDepict H 2 N N N H N S N O O O Ki = 6.0 nM 427.53 Nc1nc2cc3c(cc2[nH]1)N(Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)CCC3 Homo sapiens CHEMBL882134 single protein format
CHEMBL389051 OBDepict CH N N H O N O N H H H 2 N O OH O OH Ki = 7.0 nM 477.48 C#CCN(Cc1ccc2[nH]c(N)nc(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 Homo sapiens CHEMBL815565 cell-based format
CHEMBL25889 OBDepict CH N HN O N HO N CH 3 O OH O HO Ki = 8.5 nM 476.49 C#CCN(Cc1ccc2nc(C)nc(O)c2c1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1 Homo sapiens CHEMBL817302 single protein format
CHEMBL57420 OBDepict CH 3 N CH 3 N N N H 2 N Ki = 10.0 nM 303.37 Cc1ccc2c3c(ccc(N(C)Cc4ccnnc4)c13)N=C2N Homo sapiens CHEMBL815566 single protein format
CHEMBL1160200 OBDepict O NH O OH O N CH N OH N NH 2 IC50 = 10.0 nM 447.45 C#CN(Cc1ccc2nc(N)nc(O)c2c1)c1ccc(C(=O)NC(CCC=O)C(=O)O)cc1 Homo sapiens CHEMBL812564 single protein format
CHEMBL1160189 OBDepict CH N N H O N OH N NH 2 NH O O HO O HO O OH IC50 = 10.0 nM 592.57 C#CN(Cc1ccc2nc(N)nc(O)c2c1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)O)cc1 Homo sapiens CHEMBL812564 single protein format
CHEMBL169411 OBDepict O HN O OH N O OH N N H NH 2 Ki = 11.0 nM 451.48 Nc1nc2cc3c(cc2[nH]1)N(Cc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)CCC3 Homo sapiens CHEMBL882134 single protein format
CHEMBL422395 OBDepict CH N NH O N O N H H 2 N O OH O OH Ki = 12.0 nM 477.48 C#CCN(Cc1ccc2[nH]c(N)nc(=O)c2c1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1 Homo sapiens CHEMBL817302 single protein format
CHEMBL349723 OBDepict H 2 N N N OH S CH 3 N N Ki = 13.0 nM 285.33 Cc1ccc2nc(N)nc(O)c2c1Sc1ccnnc1 Homo sapiens CHEMBL823517 single protein format
CHEMBL434980 OBDepict H 3 C N N CH 3 N NH 2 Ki = 14.0 nM 302.38 Cc1cc(CN(C)c2ccc3c4c(cccc24)C(N)=N3)ccn1 Homo sapiens CHEMBL815566 single protein format
CHEMBL59203 OBDepict H 3 C NH N H 3 C N CH 3 N Ki = 14.0 nM 316.41 CNC1=Nc2ccc(N(C)Cc3ccncc3)c3c(C)ccc1c23 Homo sapiens CHEMBL815566 single protein format
CHEMBL886 OBDepict F N O N H O H O H H OH O P O OH HO Ki = 14.0 nM 326.17 O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)cc1F Homo sapiens CHEMBL2186825 assay format
CHEMBL320775 OBDepict CH 3 S N O N H H 2 N N Ki = 15.0 nM 284.34 Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccncc1 Homo sapiens CHEMBL823517 single protein format
CHEMBL293823 OBDepict H 3 C N N N N NH 2 Ki = 15.0 nM 289.34 CN(Cc1ccnnc1)c1ccc2c3c(cccc13)C(N)=N2 Homo sapiens CHEMBL815566 single protein format
CHEMBL9440 OBDepict H 3 C N N NH 2 S N O O O Ki = 15.0 nM 436.54 CN(Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c3c(cccc13)C(N)=N2 Homo sapiens CHEMBL815566 single protein format
CHEMBL55884 OBDepict H 3 C N N N NH 2 Ki = 17.0 nM 288.35 CN(Cc1ccncc1)c1ccc2c3c(cccc13)C(N)=N2 Homo sapiens CHEMBL815566 single protein format
CHEMBL324932 OBDepict OH O HN H O HO O HN S O O OH N N H 3 C Ki = 18.0 nM 540.55 Cc1nc(O)c2c(n1)CCc1ccc(S(=O)(=O)Nc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc1-2 Homo sapiens CHEMBL811594 cell-based format
CHEMBL294871 OBDepict HO N N CH 3 N NH 2 Ki = 18.0 nM 318.38 CN(Cc1ccnc(CO)c1)c1ccc2c3c(cccc13)C(N)=N2 Homo sapiens CHEMBL815566 single protein format
CHEMBL162145 OBDepict H 2 N N N OH S Cl N Ki = 20.0 nM 304.76 Nc1nc(O)c2c(Sc3ccncc3)c(Cl)ccc2n1 Homo sapiens CHEMBL823517 single protein format
CHEMBL169921 OBDepict HO S O O N N N H NH 2 Ki = 20.0 nM 434.52 Nc1nc2cc3c(cc2[nH]1)N(Cc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1)CCC3 Homo sapiens CHEMBL882134 single protein format
CHEMBL168367 OBDepict OH O NH H O OH O N CH 3 OH N N H 3 C Ki = 22.0 nM 502.53 Cc1nc(O)c2c(ccc3ccc(CN(C)c4ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc4)cc32)n1 Homo sapiens CHEMBL811585 single protein format
CHEMBL171314 OBDepict H 3 C O S O O N N N NH 2 H Ki = 24.0 nM 448.55 COc1ccc(S(=O)(=O)c2ccc(CN3CCCc4cc5[nH]c(N)nc5cc43)cc2)cc1 Homo sapiens CHEMBL882134 single protein format
CHEMBL417222 OBDepict CH N S O O N HO N CH 3 Ki = 25.0 nM 443.53 C#CCN(Cc1ccc2nc(C)nc(O)c2c1)c1ccc(S(=O)(=O)c2ccccc2)cc1 Homo sapiens CHEMBL814563 single protein format
CHEMBL56611 OBDepict H 3 C N N CH 3 N NH 2 Ki = 25.0 nM 316.41 CCc1cc(CN(C)c2ccc3c4c(cccc24)C(N)=N3)ccn1 Homo sapiens CHEMBL815566 single protein format
CHEMBL171480 OBDepict CH N HN O N HO N O OH O HO Ki = 26.0 nM 462.46 C#CCN(Cc1ccc2ncnc(O)c2c1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1 Homo sapiens CHEMBL844163 single protein format
CHEMBL351885 OBDepict NH 2 N N HO S H 3 C N F F F Ki = 28.0 nM 352.34 Cc1ccc2nc(N)nc(O)c2c1Sc1ccnc(C(F)(F)F)c1 Homo sapiens CHEMBL823517 single protein format
CHEMBL3099582 OBDepict NH 2 N N H N O H S IC50 = 28.8 nM 358.43 Nc1nc2[nH]c3cccc(Sc4ccc5ccccc5c4)c3c2c(=O)[nH]1 Homo sapiens CHEMBL3101466 single protein format
CHEMBL293810 OBDepict H 3 C NH N H 3 C N CH 3 N N Ki = 30.0 nM 317.4 CNC1=Nc2ccc(N(C)Cc3ccnnc3)c3c(C)ccc1c23 Homo sapiens CHEMBL815566 single protein format
CHEMBL301256 OBDepict H 2 N N N H N S O O Ki = 31.0 nM 418.52 Nc1nc2cc3c(cc2[nH]1)N(Cc1ccc(S(=O)(=O)c2ccccc2)cc1)CCC3 Homo sapiens CHEMBL817302 single protein format
CHEMBL275685 OBDepict H 3 C N N NH 2 S O O Ki = 31.0 nM 427.53 CN(Cc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc2c3c(cccc13)C(N)=N2 Homo sapiens CHEMBL817302 single protein format
CHEMBL351606 OBDepict NH 2 N N HO S H 3 C N N CH 3 H 3 C Ki = 32.0 nM 327.41 Cc1ccc2nc(N)nc(O)c2c1Sc1ccnc(N(C)C)c1 Homo sapiens CHEMBL823517 single protein format
CHEMBL169896 OBDepict OH O N H O HO O N H N O N H CH 3 IC50 = 32.0 nM 500.51 Cc1nc2ccc3ccc(CNc4ccc5c(c4)CN([C@@H](CCC(=O)O)C(=O)O)C5=O)cc3c2c(=O)[nH]1 Homo sapiens CHEMBL1819659 single protein format
CHEMBL159213 OBDepict CH N S O O Cl N HO N H 3 C Ki = 33.0 nM 477.97 C#CCN(Cc1ccc2nc(C)nc(O)c2c1)c1ccc(S(=O)(=O)c2ccccc2Cl)cc1 Homo sapiens CHEMBL814563 single protein format
CHEMBL162076 OBDepict HC N Cl S O O N HO N CH 3 Ki = 33.0 nM 477.97 C#CCN(Cc1ccc2nc(C)nc(O)c2c1)c1ccc(S(=O)(=O)c2ccccc2)c(Cl)c1 Homo sapiens CHEMBL814563 single protein format
CHEMBL1738740 OBDepict HO O N H O OH O NH S N O N H H 2 N IC50 = 34.0 nM 507.53 Nc1nc2sc3cccc(CNc4ccc5c(c4)CN([C@@H](CCC(=O)O)C(=O)O)C5=O)c3c2c(=O)[nH]1 Homo sapiens CHEMBL1819659 single protein format
CHEMBL422395 OBDepict CH N NH O N O N H H 2 N O OH O OH IC50 = 36.0 nM 477.48 C#CCN(Cc1ccc2[nH]c(N)nc(=O)c2c1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1 Homo sapiens CHEMBL817510 single protein format
CHEMBL163411 OBDepict CH 3 O N S CH 3 OH N N H 3 C Ki = 37.0 nM 313.38 COc1cc(Sc2c(C)ccc3nc(C)nc(O)c23)ccn1 Homo sapiens CHEMBL823517 single protein format
CHEMBL291548 OBDepict HC N S F F F O O N HO N CH 3 Ki = 37.0 nM 511.53 C#CCN(Cc1ccc2nc(C)nc(O)c2c1)c1ccc(S(=O)(=O)c2ccccc2)c(C(F)(F)F)c1 Homo sapiens CHEMBL814563 single protein format
CHEMBL353813 OBDepict OH N N N H H 2 N Ki = 38.0 nM 358.45 Nc1nc2cc3c(cc2[nH]1)N(Cc1ccc2cc(CO)ccc2c1)CCC3 Homo sapiens CHEMBL882134 single protein format
CHEMBL350130 OBDepict CH 3 N S CH 3 OH N N H 3 C Ki = 39.0 nM 297.38 Cc1cc(Sc2c(C)ccc3nc(C)nc(O)c23)ccn1 Homo sapiens CHEMBL823517 single protein format
CHEMBL522363 OBDepict OH O N O O HO S H 3 C S N O N H NH 2 IC50 = 40.0 nM 448.48 Cc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(C(=O)N(CCC(=O)O)C(=O)O)cc1 Homo sapiens CHEMBL1034979 single protein format
CHEMBL306149 OBDepict OH O N H O OH O S H 3 C N H HO N N NH 2 IC50 = 42.0 nM 445.46 Cc1[nH]c2nc(N)nc(O)c2c1Sc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1 Homo sapiens CHEMBL809257 single protein format
CHEMBL336487 OBDepict OH O N H O HO O S CH 3 HN O N H N NH 2 IC50 = 42.0 nM 447.47 CC1=C(Sc2ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc2)C2C(=O)NC(N)=NC2N1 Homo sapiens CHEMBL817510 single protein format
CHEMBL158542 OBDepict HC N F S O O N HO N CH 3 Ki = 43.0 nM 461.52 C#CCN(Cc1ccc2nc(C)nc(O)c2c1)c1ccc(S(=O)(=O)c2ccccc2)c(F)c1 Homo sapiens CHEMBL814563 single protein format
CHEMBL301218 OBDepict H 3 C N N N NH 2 F F F Ki = 45.0 nM 356.35 CN(Cc1ccnc(C(F)(F)F)c1)c1ccc2c3c(cccc13)C(N)=N2 Homo sapiens CHEMBL815566 single protein format
CHEMBL252132 OBDepict HO O HN H O HO O N H 3 C N O N H NH 2 IC50 = 46.0 nM 427.42 Cc1cc2nc(N)[nH]c(=O)c2n1Cc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 Homo sapiens CHEMBL926350 single protein format
CHEMBL224868 OBDepict HO O N H H O OH O Cl S H 3 C N H N O N H NH 2 IC50 = 51.0 nM 479.9 Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c(Cl)c1 Homo sapiens CHEMBL916821 single protein format
CHEMBL171057 OBDepict H 3 C O S O O N N N NH 2 CH 3 Ki = 51.0 nM 462.58 COc1ccc(S(=O)(=O)c2ccc(CN3CCCc4cc5c(cc43)nc(N)n5C)cc2)cc1 Homo sapiens CHEMBL882134 single protein format
CHEMBL56637 OBDepict H 3 C N N N S NH 2 Ki = 52.0 nM 396.52 CN(Cc1ccnc(Sc2ccccc2)c1)c1ccc2c3c(cccc13)C(N)=N2 Homo sapiens CHEMBL815566 single protein format
CHEMBL225180 OBDepict HO O HN H O HO O S H 3 C N H N O N H NH 2 IC50 = 54.0 nM 445.46 Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 Homo sapiens CHEMBL859608 single protein format
CHEMBL551049 OBDepict H 3 C S S N O N NH 2 H N H O H O HO O OH IC50 = 54.0 nM 476.54 CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 Homo sapiens CHEMBL1062966 single protein format
CHEMBL388340 OBDepict HO O N H H O OH O F S H 3 C N H N O N H NH 2 IC50 = 54.0 nM 463.45 Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c(F)c1 Homo sapiens CHEMBL916821 single protein format
CHEMBL160215 OBDepict CH N Cl + S _ O N HO N CH 3 Ki = 54.0 nM 461.97 C#CCN(Cc1ccc2nc(C)nc(O)c2c1)c1ccc([S+]([O-])c2ccccc2)c(Cl)c1 Homo sapiens CHEMBL814563 single protein format
CHEMBL3099580 OBDepict NH 2 N N H N O H S Ki = 55.7 nM 308.37 Nc1nc2[nH]c3cccc(Sc4ccccc4)c3c2c(=O)[nH]1 Homo sapiens CHEMBL3101466 single protein format
CHEMBL162613 OBDepict CH 3 N N HO S H 3 C + N O _ O Ki = 56.0 nM 327.37 Cc1nc(O)c2c(Sc3ccc([N+](=O)[O-])cc3)c(C)ccc2n1 Homo sapiens CHEMBL823517 single protein format
CHEMBL159364 OBDepict CH N S O O H 3 C N HO N H 3 C Ki = 56.0 nM 457.56 C#CCN(Cc1ccc2nc(C)nc(O)c2c1)c1ccc(S(=O)(=O)c2ccccc2C)cc1 Homo sapiens CHEMBL814563 single protein format
CHEMBL4857252 OBDepict H 3 C O O N O N N N N H O F F F IC50 = 57.0 nM 467.45 CCOC(=O)C1CCC(c2ccccc2)N1C(=O)c1cn(CCCNC(=O)C(F)(F)F)nn1 Homo sapiens CHEMBL4822177 single protein format
CHEMBL116589 OBDepict OH O HN H O HO O HN S O O OH N N H 2 N Ki = 57.0 nM 541.54 Nc1nc(O)c2c(n1)CCc1cc(S(=O)(=O)Nc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)ccc1-2 Homo sapiens CHEMBL811594 cell-based format
CHEMBL25889 OBDepict CH N HN O N HO N CH 3 O OH O HO IC50 = 60.0 nM 476.49 C#CCN(Cc1ccc2nc(C)nc(O)c2c1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1 Homo sapiens CHEMBL810077 cell-based format
CHEMBL3392217 OBDepict CH 3 N N N O N H O H O H H OH O P O OH HO Ki = 60.0 nM 468.4 CN1CCN(Cc2cn([C@H]3C[C@H](O)[C@@H](COP(=O)(O)O)O3)c(=O)[nH]c2=O)c2ccccc21 Homo sapiens CHEMBL812502 single protein format
CHEMBL56662 OBDepict H 2 N N N H N S N O O N H Ki = 64.0 nM 426.55 Nc1nc2cc3c(cc2[nH]1)N(Cc1ccc(S(=O)(=O)N2CCNCC2)cc1)CCC3 Homo sapiens CHEMBL817302 single protein format
CHEMBL1738741 OBDepict HO O HN H O OH O NH S N O N H H 2 N IC50 = 68.0 nM 495.52 Nc1nc2sc3cccc(CNc4ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc4)c3c2c(=O)[nH]1 Homo sapiens CHEMBL1819659 single protein format
CHEMBL1160054 OBDepict CH 3 N NH O N OH N H 2 N O OH O OH IC50 = 68.0 nM 481.51 CCCN(Cc1ccc2nc(N)nc(O)c2c1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1 Homo sapiens CHEMBL809260 single protein format
CHEMBL299928 OBDepict HC N S N O O N OH N H 3 C Ki = 69.0 nM 482.57 C#CCN(Cc1ccc2nc(C)nc(O)c2c1)c1ccc(S(=O)(=O)n2ccc3ccccc32)cc1 Homo sapiens CHEMBL817302 single protein format
CHEMBL163410 OBDepict CH 3 N N HO S H 3 C N F F F Ki = 70.0 nM 351.35 Cc1nc(O)c2c(Sc3ccnc(C(F)(F)F)c3)c(C)ccc2n1 Homo sapiens CHEMBL823517 single protein format
CHEMBL423282 OBDepict H 3 C N N OH S CH 3 S O O Ki = 76.0 nM 422.53 Cc1nc(O)c2c(Sc3ccc(S(=O)(=O)c4ccccc4)cc3)c(C)ccc2n1 Homo sapiens CHEMBL823517 single protein format
CHEMBL349969 OBDepict CH 3 N N HO S H 3 C N N CH 3 H 3 C Ki = 80.0 nM 326.43 Cc1nc(O)c2c(Sc3ccnc(N(C)C)c3)c(C)ccc2n1 Homo sapiens CHEMBL823517 single protein format
CHEMBL164624 OBDepict CH 3 N N HO S H 3 C N N Ki = 87.0 nM 284.34 Cc1nc(O)c2c(Sc3ccnnc3)c(C)ccc2n1 Homo sapiens CHEMBL823517 single protein format
CHEMBL161025 OBDepict CH N F + S _ O N HO N CH 3 Ki = 88.0 nM 445.52 C#CCN(Cc1ccc2nc(C)nc(O)c2c1)c1ccc([S+]([O-])c2ccccc2)c(F)c1 Homo sapiens CHEMBL814563 single protein format
CHEMBL114987 OBDepict CH N N HN O N HO N NH 2 O OH O HO IC50 = 90.0 nM 478.47 C#CCN(Cc1cnc2nc(N)nc(O)c2c1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1 Homo sapiens CHEMBL816741 assay format
CHEMBL371860 OBDepict H 3 C N S H N HO N NH 2 N H O H O HO O OH IC50 = 90.0 nM 459.48 CCc1[nH]c2nc(N)nc(O)c2c1Sc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 Homo sapiens CHEMBL859608 single protein format
CHEMBL351403 OBDepict H 3 C N N OH S CH 3 N Ki = 93.0 nM 283.36 Cc1nc(O)c2c(Sc3ccncc3)c(C)ccc2n1 Homo sapiens CHEMBL823517 single protein format
CHEMBL492838 OBDepict H 3 C S S N O N NH 2 H Cl Cl IC50 = 110.0 nM 358.27 Cc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL1034979 single protein format
CHEMBL492836 OBDepict CH 3 S S N O N H 2 N H + N O _ O IC50 = 110.0 nM 334.38 Cc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc([N+](=O)[O-])cc1 Homo sapiens CHEMBL1034979 single protein format
CHEMBL161450 OBDepict CH N + S F F F _ O N HO N CH 3 Ki = 110.0 nM 495.53 C#CCN(Cc1ccc2nc(C)nc(O)c2c1)c1ccc([S+]([O-])c2ccccc2)c(C(F)(F)F)c1 Homo sapiens CHEMBL814563 single protein format
CHEMBL495124 OBDepict H 3 C S S N O N NH 2 H IC50 = 120.0 nM 339.45 Cc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc2ccccc2c1 Homo sapiens CHEMBL1034979 single protein format
CHEMBL4060383 OBDepict NH 2 N N NH 2 N H S IC50 = 120.0 nM 357.44 Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3ccc4ccccc4c3)c12 Homo sapiens CHEMBL4007196 single protein format
CHEMBL400485 OBDepict Cl Cl S H 3 C N N O N H H NH 2 IC50 = 130.0 nM 341.22 Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL816742 single protein format
CHEMBL4550585 OBDepict Cl N N N NH S O O N O N H H O IC50 = 130.0 nM 444.86 O=c1[nH]cc(S(=O)(=O)Nc2ccccc2-c2cn(-c3ccc(Cl)cc3)nn2)c(=O)[nH]1 Homo sapiens CHEMBL4348444 single protein format
CHEMBL4096329 OBDepict H 3 C O S N NH 2 N N H NH 2 IC50 = 140.0 nM 337.41 COc1ccc(Sc2cccc3[nH]c4nc(N)nc(N)c4c23)cc1 Homo sapiens CHEMBL4007196 single protein format
CHEMBL165453 OBDepict CH 3 N N HO S H 3 C O OH Ki = 141.0 nM 326.38 Cc1nc(O)c2c(Sc3ccc(C(=O)O)cc3)c(C)ccc2n1 Homo sapiens CHEMBL823517 single protein format
CHEMBL389051 OBDepict CH N N H O N O N H H H 2 N O OH O OH IC50 = 150.0 nM 477.48 C#CCN(Cc1ccc2[nH]c(N)nc(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 Homo sapiens CHEMBL809255 single protein format
CHEMBL400364 OBDepict _ O + N O S CH 3 N N O N H H H 2 N IC50 = 150.0 nM 317.33 Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc([N+](=O)[O-])cc1 Homo sapiens CHEMBL816742 single protein format