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P22102 | PUR2_HUMAN | Trifunctional purine biosynthetic protein adenosine-3 (GART)

3D structures mapped by conservation among orthologs

[ Domain: "PreATP-grasp domain" // GARS_N ]

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[ Domain: "ATP-grasp" // ATP-grasp ]

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[ Domain: "PurM N-terminal domain-like" // AIRS ]

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[ Domain: "PurM C-terminal domain-like" // AIRS_C ]

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[ Domain: "CO dehydrogenase molybdoprotein N-domain-like" // GARS_C ]

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[ Domain: "Formyltransferase" // Formyl_trans_N ]

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[ Domain: pdbs with more than 2 multi-domains ]

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[ 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
CHEMBL23278 OBDepict OH O N H O HO O CH 3 N HN N OH N H 2 N IC50 = 0.00055 nM 470.49 CC(CC1=Nc2c(O)nc(N)nc2NC1)Cc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1 Homo sapiens CHEMBL677841 single protein format
CHEMBL23388 OBDepict HO O N H O OH O N H H N H N H N OH N NH 2 IC50 = 0.001 nM 459.46 Nc1nc(O)c2c(n1)NC[C@H](CCNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)N2 Homo sapiens CHEMBL677841 single protein format
CHEMBL23699 OBDepict OH O N H O OH O CH 3 N H N H N OH N NH 2 IC50 = 0.0011 nM 472.5 CC(Cc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)CC1CNc2nc(N)nc(O)c2N1 Homo sapiens CHEMBL677841 single protein format
CHEMBL4643623 OBDepict HO O HN H O OH O S N H N O N H H 2 N IC50 = 0.3 nM 473.51 Nc1nc2[nH]c(CCCSc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4624208 cell-based format
CHEMBL4465095 OBDepict HO O N H H O OH O S F N H N O N H H 2 N IC50 = 0.7 nM 479.49 Nc1nc2[nH]c(CCCCc3csc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c3F)cc2c(=O)[nH]1 Homo sapiens CHEMBL4309300 cell-based format
CHEMBL4636872 OBDepict HO O HN H O OH O HN N H N O N H H 2 N IC50 = 0.95 nM 456.46 Nc1nc2[nH]c(CCCNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4624208 cell-based format
CHEMBL4538151 OBDepict HO O N H H O OH O F N H N O N H H 2 N IC50 = 1.0 nM 459.43 Nc1nc2[nH]c(CCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c(F)c3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4309300 cell-based format
CHEMBL4445651 OBDepict OH O NH H O HO O S F N H N O N H H 2 N IC50 = 1.2 nM 465.46 Nc1nc2[nH]c(CCCc3csc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c3F)cc2c(=O)[nH]1 Homo sapiens CHEMBL4309300 cell-based format
CHEMBL2158681 OBDepict HO O N H H O OH O S N H N O N H H 2 N IC50 = 1.79 nM 461.5 Nc1nc2[nH]c(CCCCc3csc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c3)cc2c(=O)[nH]1 Homo sapiens CHEMBL2161359 cell-based format
CHEMBL4214638 OBDepict HO O HN H O OH O N N H N O N H H 2 N IC50 = 1.8 nM 456.46 Nc1nc2[nH]c(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)nc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4194647 cell-based format
CHEMBL82261 OBDepict OH O N H H O HO O S H 3 C S HN N OH N H 2 N Ki = 2.0 nM 481.56 Cc1cc(C(=O)N[C@H](CCC(=O)O)C(=O)O)sc1CCC1CNc2nc(N)nc(O)c2S1 Homo sapiens CHEMBL684724 single protein format
CHEMBL4557278 OBDepict OH O NH H O HO O N F N H N O N H NH 2 IC50 = 2.0 nM 474.45 Nc1nc2[nH]c(CCCCc3cnc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c(F)c3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4309300 cell-based format
CHEMBL1834488 OBDepict OH O NH H O HO O S N H N O N H H 2 N IC50 = 2.0 nM 447.47 Nc1nc2[nH]c(CCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)cc2c(=O)[nH]1 Homo sapiens CHEMBL3382019 cell-based format
CHEMBL2158682 OBDepict OH O NH H O HO O S N H N O N H NH 2 IC50 = 2.03 nM 461.5 Nc1nc2[nH]c(CCCCc3cc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cs3)cc2c(=O)[nH]1 Homo sapiens CHEMBL2161359 cell-based format
CHEMBL4471269 OBDepict O N N H HN O N O N H H NH 2 O HO O OH IC50 = 2.11 nM 470.44 Nc1nc2[nH]c(CCN(C=O)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4432158 cell-based format
CHEMBL3628344 OBDepict OH O NH H O HO O S N H N O N H H 2 N IC50 = 2.4 nM 447.47 Nc1nc2[nH]c(CCCc3csc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c3)cc2c(=O)[nH]1 Homo sapiens CHEMBL3632393 cell-based format
CHEMBL4645676 OBDepict HO O HN H O OH O O N H N O N H H 2 N IC50 = 2.5 nM 457.44 Nc1nc2[nH]c(CCCOc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4624208 cell-based format
CHEMBL3628346 OBDepict HO O N H H O OH O S N H N O N H H 2 N IC50 = 2.6 nM 447.47 Nc1nc2[nH]c(CCCc3cc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cs3)cc2c(=O)[nH]1 Homo sapiens CHEMBL3632393 cell-based format
CHEMBL4437824 OBDepict HO O N H H O OH O N H N H N O N H H 2 N IC50 = 2.64 nM 442.43 Nc1nc2[nH]c(CCNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4432158 cell-based format
CHEMBL3086865 OBDepict O HN H O OH O OH N H N O N H NH 2 IC50 = 2.89 nM 407.43 Nc1nc2[nH]c(CCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2c(=O)[nH]1 Homo sapiens CHEMBL3088992 cell-based format
CHEMBL85436 OBDepict HO O N H H O OH O S S NH N HO N NH 2 Ki = 3.0 nM 467.53 Nc1nc(O)c2c(n1)NCC(CCc1ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)s1)S2 Homo sapiens CHEMBL684724 single protein format
CHEMBL4540298 OBDepict OH O NH H O HO O F N H N O N H NH 2 IC50 <= 3.0 nM 473.46 Nc1nc2[nH]c(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c(F)c3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4309300 cell-based format
CHEMBL82181 OBDepict HO O HN O OH O S N H N OH N NH 2 Ki = 3.4 nM 461.5 Nc1nc(O)c2c(n1)NCC(CCc1cccc(C(=O)NC(CCC(=O)O)C(=O)O)c1)S2 Homo sapiens CHEMBL684724 single protein format
CHEMBL4205344 OBDepict HO O HN H O OH O N N H N O N H H 2 N IC50 = 4.8 nM 456.46 Nc1nc2[nH]c(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cn3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4194647 cell-based format
CHEMBL4553188 OBDepict HO O NH H O OH O N O F F F N H N O N H NH 2 IC50 = 4.95 nM 538.44 Nc1nc2[nH]c(CCN(C(=O)C(F)(F)F)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4432158 cell-based format
CHEMBL279302 OBDepict OH O N H O OH O HN NH N HO N NH 2 IC50 = 5e-05 nM 458.48 Nc1nc(O)c2c(n1)NCC(CCCc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)N2 Homo sapiens CHEMBL677841 single protein format
CHEMBL4467936 OBDepict HO O N H H O OH O S N H N O N H H 2 N IC50 = 5.25 nM 459.48 Nc1nc2[nH]c(CCSc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4432158 cell-based format
CHEMBL4638232 OBDepict OH O NH H O HO O N O F F F N H N O N H H 2 N IC50 = 5.35 nM 552.47 Nc1nc2[nH]c(CCCN(C(=O)C(F)(F)F)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4624208 cell-based format
CHEMBL3086866 OBDepict OH O N H H O HO O N H N O N H H 2 N IC50 = 5.49 nM 421.45 Nc1nc2[nH]c(CCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2c(=O)[nH]1 Homo sapiens CHEMBL3088992 cell-based format
CHEMBL4444011 OBDepict OH O N H H O HO O N O H 3 C N H N O N H H 2 N IC50 = 5.58 nM 484.47 CC(=O)N(CCc1cc2c(=O)[nH]c(N)nc2[nH]1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 Homo sapiens CHEMBL4432158 cell-based format
CHEMBL4447805 OBDepict HO O N H H O OH O O N H N O N H H 2 N IC50 = 6.62 nM 443.42 Nc1nc2[nH]c(CCOc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4432158 cell-based format
CHEMBL365307 OBDepict HO O HN H O OH O N H N O N H H 2 N IC50 = 6.8 nM 455.47 Nc1nc2[nH]c(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL1006408 cell-based format
CHEMBL502528 OBDepict OH O N H H O OH O N H N O N H NH 2 IC50 = 7.2 nM 469.5 Nc1nc2[nH]c(CCCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL1006408 cell-based format
CHEMBL84935 OBDepict OH O N H H O HO O S CH 3 S NH 2 N OH N H 2 N Ki = 8.5 nM 469.55 Cc1cc(CCCSc2c(N)nc(N)nc2O)sc1C(=O)N[C@@H](CCC(=O)O)C(=O)O Homo sapiens CHEMBL684724 single protein format
CHEMBL526928 OBDepict OH O N H H O HO O N H N O N H NH 2 IC50 = 8.6 nM 483.53 Nc1nc2[nH]c(CCCCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL1006408 cell-based format
CHEMBL3628346 OBDepict HO O N H H O OH O S N H N O N H H 2 N Ki = 9.1 nM 447.47 Nc1nc2[nH]c(CCCc3cc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cs3)cc2c(=O)[nH]1 Homo sapiens CHEMBL3632394 single protein format
CHEMBL3086867 OBDepict HO O N H H O OH O N H N O N H H 2 N IC50 = 9.62 nM 435.48 Nc1nc2[nH]c(CCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2c(=O)[nH]1 Homo sapiens CHEMBL3088992 cell-based format
CHEMBL3335605 OBDepict HO O N H H O HO O S N H N O N H NH 2 IC50 = 12.0 nM 461.5 Nc1nc2[nH]c(CCCc3ccc(C(=O)N[C@@H](CCCC(=O)O)C(=O)O)s3)cc2c(=O)[nH]1 Homo sapiens CHEMBL3382019 cell-based format
CHEMBL3628344 OBDepict OH O NH H O HO O S N H N O N H H 2 N Ki = 13.0 nM 447.47 Nc1nc2[nH]c(CCCc3csc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c3)cc2c(=O)[nH]1 Homo sapiens CHEMBL3632394 single protein format
CHEMBL4641908 OBDepict O N N N H O H N H O N O HO H NH 2 O HO IC50 = 13.2 nM 484.47 Nc1nc2[nH]c(CCCN(C=O)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4624208 cell-based format
CHEMBL491104 OBDepict OH O N H H O HO O S N O N NH 2 H IC50 = 13.3 nM 472.52 Nc1nc2sc(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL1003027 cell-based format
CHEMBL490934 OBDepict OH O N H H O OH O S N O N NH 2 H IC50 = 13.8 nM 458.5 Nc1nc2sc(CCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL1003027 cell-based format
CHEMBL84605 OBDepict CH 3 S N H O H S O OH O HO NH 2 N OH N H 2 N Ki = 14.0 nM 483.57 CCc1cc(CCCSc2c(N)nc(N)nc2O)sc1C(=O)N[C@@H](CCC(=O)O)C(=O)O Homo sapiens CHEMBL684724 single protein format
CHEMBL451819 OBDepict O HN O NH 2 N O N H H NH 2 O HO O OH Ki = 14.0 nM 459.46 Nc1nc(N)c(CCCC(C=O)c2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)c(=O)[nH]1 Homo sapiens CHEMBL1000392 single protein format
CHEMBL82390 OBDepict OH O N H H O HO O S H 3 C S HN N OH N H 2 N Ki = 15.0 nM 481.56 Cc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)sc1CCC1CNc2nc(N)nc(O)c2S1 Homo sapiens CHEMBL684724 single protein format
CHEMBL451818 OBDepict OH O N H H O OH O O F F F NH 2 N O N H NH 2 Ki = 15.0 nM 527.46 Nc1nc(N)c(CCCC(C(=O)C(F)(F)F)c2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)c(=O)[nH]1 Homo sapiens CHEMBL1000392 single protein format
CHEMBL192632 OBDepict HO O N H H O OH O N H N O N H H 2 N IC50 = 18.0 nM 441.44 Nc1nc2[nH]c(CCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL1006408 cell-based format
CHEMBL491129 OBDepict OH O N H H O OH O S N O N NH 2 H IC50 = 23.6 nM 486.55 Nc1nc2sc(CCCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL1003027 cell-based format
CHEMBL491298 OBDepict OH O NH H O HO O S N O N NH 2 H IC50 = 26.6 nM 500.58 Nc1nc2sc(CCCCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL1003027 cell-based format
CHEMBL84163 OBDepict HO O N H H O OH O S S NH N HO N NH 2 Ki = 28.0 nM 467.53 Nc1nc(O)c2c(n1)NCC(CCc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s1)S2 Homo sapiens CHEMBL684724 single protein format
CHEMBL309415 OBDepict OH O NH H O HO O S S NH 2 N HO N NH 2 Ki = 30.0 nM 481.56 Nc1nc(N)c(SCC2CCc3cc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)sc3C2)c(O)n1 Homo sapiens CHEMBL684724 single protein format
CHEMBL379094 OBDepict HO O HN O OH O O F F F H 2 N N OH N NH 2 Ki = 30.0 nM 527.46 Nc1nc(N)c(CCCC(C(=O)C(F)(F)F)c2ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc2)c(O)n1 Homo sapiens CHEMBL861362 single protein format
CHEMBL225072 OBDepict HO O HN H O OH O N H N O N H H 2 N IC50 = 30.0 nM 427.42 Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1 Homo sapiens CHEMBL1006408 cell-based format
CHEMBL315627 OBDepict OH O N H H O HO O S H 3 C S NH 2 N OH N H 2 N Ki = 32.0 nM 469.55 Cc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)sc1CCCSc1c(N)nc(N)nc1O Homo sapiens CHEMBL684724 single protein format
CHEMBL522455 OBDepict OH O N H H O HO O S N O N NH 2 H IC50 = 32.3 nM 444.47 Nc1nc2sc(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL1003027 cell-based format
CHEMBL85871 OBDepict OH O N H H O HO O S S NH 2 N OH N H 2 N Ki = 35.0 nM 455.52 Nc1nc(N)c(SCCCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s2)c(O)n1 Homo sapiens CHEMBL684724 single protein format
CHEMBL315076 OBDepict HO O HN O OH O S NH N HO N NH 2 Ki = 35.0 nM 461.5 Nc1nc(O)c2c(n1)NCC(CCc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)S2 Homo sapiens CHEMBL684724 single protein format
CHEMBL84904 OBDepict OH O N H H O OH O S NH 2 N HO N NH 2 Ki = 38.0 nM 449.49 Nc1nc(N)c(SCCCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)c(O)n1 Homo sapiens CHEMBL684724 single protein format
CHEMBL4642637 OBDepict OH O N H H O HO O N O H 3 C N H N O N H H 2 N IC50 = 40.11 nM 498.5 CC(=O)N(CCCc1cc2c(=O)[nH]c(N)nc2[nH]1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 Homo sapiens CHEMBL4624208 cell-based format
CHEMBL4437824 OBDepict HO O N H H O OH O N H N H N O N H H 2 N Ki = 59.0 nM 442.43 Nc1nc2[nH]c(CCNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4432159 single protein format
CHEMBL4447805 OBDepict HO O N H H O OH O O N H N O N H H 2 N Ki = 61.0 nM 443.42 Nc1nc2[nH]c(CCOc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4432159 single protein format
CHEMBL3409335 OBDepict HO O HN H O OH O S N H N O N H NH 2 IC50 = 61.03 nM 461.5 Nc1nc2[nH]cc(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)c2c(=O)[nH]1 Homo sapiens CHEMBL3412862 cell-based format
CHEMBL4444011 OBDepict OH O N H H O HO O N O H 3 C N H N O N H H 2 N Ki = 62.0 nM 484.47 CC(=O)N(CCc1cc2c(=O)[nH]c(N)nc2[nH]1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 Homo sapiens CHEMBL4432159 single protein format
CHEMBL1834488 OBDepict OH O NH H O HO O S N H N O N H H 2 N Ki = 68.0 nM 447.47 Nc1nc2[nH]c(CCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)cc2c(=O)[nH]1 Homo sapiens CHEMBL3632394 single protein format
CHEMBL3628345 OBDepict HO O N H H O OH O S O NH 2 N N H 2 N IC50 = 82.0 nM 447.47 Nc1nc(N)c2c(CCCc3csc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c3)coc2n1 Homo sapiens CHEMBL3632393 cell-based format
CHEMBL4471269 OBDepict O N N H HN O N O N H H NH 2 O HO O OH Ki = 99.0 nM 470.44 Nc1nc2[nH]c(CCN(C=O)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4432159 single protein format
CHEMBL3628347 OBDepict HO O HN H O OH O S O NH 2 N N H 2 N IC50 = 101.0 nM 447.47 Nc1nc(N)c2c(CCCc3cc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cs3)coc2n1 Homo sapiens CHEMBL3632393 cell-based format
CHEMBL4553188 OBDepict HO O NH H O OH O N O F F F N H N O N H NH 2 Ki = 122.0 nM 538.44 Nc1nc2[nH]c(CCN(C(=O)C(F)(F)F)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4432159 single protein format
CHEMBL34412 OBDepict HO O NH H O OH O H N H N O N H NH 2 Ki = 130.0 nM 443.46 Nc1nc2c(c(=O)[nH]1)C[C@@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)CN2 Homo sapiens CHEMBL684729 single protein format
CHEMBL424683 OBDepict NH 2 N N NH 2 HO O F F F N H O O OH N N N H N Ki = 130.0 nM 551.49 Nc1nc(N)c(CCCC(C(=O)C(F)(F)F)c2ccc(C(=O)NC(CCc3nnn[nH]3)C(=O)O)cc2)c(O)n1 Homo sapiens CHEMBL861362 single protein format
CHEMBL294768 OBDepict OH O N H H O HO O N S N H NH 2 N OH N H 2 N IC50 = 140.0 nM 439.45 Nc1nc(N)c(CCCNc2cnc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s2)c(O)n1 Homo sapiens CHEMBL681448 tissue-based format
CHEMBL192632 OBDepict HO O N H H O OH O N H N O N H H 2 N Ki = 160.0 nM 441.44 Nc1nc2[nH]c(CCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4432159 single protein format
CHEMBL452322 OBDepict CH 3 S H HN O H 2 N N O N H H NH 2 O HO O OH Ki = 180.0 nM 477.54 CS[C@@H](CCCc1c(N)nc(N)[nH]c1=O)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 Homo sapiens CHEMBL1000392 single protein format
CHEMBL4467936 OBDepict HO O N H H O OH O S N H N O N H H 2 N Ki = 201.0 nM 459.48 Nc1nc2[nH]c(CCSc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4432159 single protein format
CHEMBL453090 OBDepict CH 3 S H HN O H 2 N N O N H H NH 2 O HO O OH Ki = 210.0 nM 477.54 CS[C@H](CCCc1c(N)nc(N)[nH]c1=O)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 Homo sapiens CHEMBL1000392 single protein format
CHEMBL34412 OBDepict HO O NH H O OH O H N H N O N H NH 2 IC50 = 220.0 nM 443.46 Nc1nc2c(c(=O)[nH]1)C[C@@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)CN2 Homo sapiens CHEMBL765141 assay format
CHEMBL170101 OBDepict HO O HN O OH O NH N HO N NH 2 IC50 = 220.0 nM 443.46 Nc1nc(O)c2c(n1)NCC(CCc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)C2 Homo sapiens CHEMBL678807 assay format
CHEMBL225072 OBDepict HO O HN H O OH O N H N O N H H 2 N Ki = 380.0 nM 427.42 Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1 Homo sapiens CHEMBL1253095 single protein format
CHEMBL257691 OBDepict HO O N H H O OH O O N O NH 2 N O N H H 2 N Ki = 600.0 nM 576.57 Nc1nc(N)c(CCCC(C(=O)c2nc3ccccc3o2)c2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)c(=O)[nH]1 Homo sapiens CHEMBL950068 single protein format
CHEMBL590740 OBDepict HO O N H H O OH O S N H N O N H H 2 N IC50 = 630.0 nM 461.5 Nc1nc2[nH]c(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)cc2c(=O)[nH]1 Homo sapiens CHEMBL1067650 cell-based format
CHEMBL84045 OBDepict OH O N H H O HO O S NH 2 N OH N H 2 N Ki = 825.0 nM 449.49 Nc1nc(N)c(SCCCc2cccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c2)c(O)n1 Homo sapiens CHEMBL684724 single protein format
CHEMBL452324 OBDepict CH 3 O H HN O H 2 N N O N H H NH 2 O HO O OH Ki = 850.0 nM 461.48 CO[C@H](CCCc1c(N)nc(N)[nH]c1=O)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 Homo sapiens CHEMBL1000392 single protein format