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P19801 | AOC1_HUMAN | Amiloride-sensitive amine oxidase [copper-containing] (AOC1)

3D structures mapped by conservation among orthologs

[ Domain: "supersandwich" // Cu_amine_oxid ]

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[ Domain: "Amine oxidase N-terminal region" // Cu_amine_oxidN2 ]

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[ Domain: "Amine oxidase N-terminal region" // Cu_amine_oxidN3 ]

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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
CHEMBL35241 OBDepict NH 2 NH HN N N NH H 2 N Ki = 13.0 nM 281.32 N=C(N)c1ccc(/N=N/Nc2ccc(C(=N)N)cc2)cc1 Homo sapiens CHEMBL3242684 cell-based format
CHEMBL534467 OBDepict CH 3 HN N H 2 N N H 3 C CH 3 ClH ClH IC50 = 61.0 nM 253.18 CNc1cncc(N(C)C)c1CN.Cl.Cl Homo sapiens CHEMBL828122 single protein format
CHEMBL3921332 OBDepict NH 2 O F O NH 2 IC50 < 100.0 nM 224.24 NC/C(=C/F)COc1ccc(C(N)=O)cc1 Homo sapiens CHEMBL3888274 single protein format
CHEMBL3893265 OBDepict NH 2 O F N O H 3 C CH 3 IC50 < 100.0 nM 252.29 CN(C)C(=O)c1ccc(OC/C(=CF)CN)cc1 Homo sapiens CHEMBL3888274 single protein format
CHEMBL537845 OBDepict NH 2 NH NH CH 3 N H 3 C ClH ClH IC50 = 120.0 nM 239.15 CNc1cncc(NC)c1CN.Cl.Cl Homo sapiens CHEMBL828122 single protein format
CHEMBL225304 OBDepict NH 2 N H 2 N NH 2 Ki = 140.0 nM 74.09 NN=C(N)N Homo sapiens CHEMBL668917 single protein format
CHEMBL534914 OBDepict H 3 C NH N NH 2 ClH ClH IC50 = 160.0 nM 210.11 CNc1cnccc1CN.Cl.Cl Homo sapiens CHEMBL828122 single protein format
CHEMBL330979 OBDepict H N N NH 2 Ki = 170.0 nM 123.16 NC/C=Cc1c[nH]cn1 Homo sapiens CHEMBL668917 single protein format
CHEMBL119195 OBDepict H N N NH 2 Ki = 200.0 nM 123.16 NC/C=C/c1c[nH]cn1 Homo sapiens CHEMBL668917 single protein format
CHEMBL55 OBDepict NH 2 NH O O NH NH 2 Ki = 290.0 nM 340.43 N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 Homo sapiens CHEMBL3242684 cell-based format
CHEMBL536953 OBDepict H 2 N NH 2 N ClH ClH IC50 = 300.0 nM 196.08 Cl.Cl.NCc1ccncc1N Homo sapiens CHEMBL828122 single protein format
CHEMBL537624 OBDepict H 3 C NH N NH 2 ClH ClH IC50 = 500.0 nM 224.13 CCNc1cnccc1CN.Cl.Cl Homo sapiens CHEMBL828122 single protein format
CHEMBL3967909 OBDepict H 2 N O F S O O NH 2 IC50 < 1000.0 nM 260.29 NC/C(=C/F)COc1ccc(S(N)(=O)=O)cc1 Homo sapiens CHEMBL3888274 single protein format
CHEMBL3985531 OBDepict H 2 N O F F N O CH 3 CH 3 IC50 < 1000.0 nM 270.28 CN(C)C(=O)c1ccc(OC/C(=CF)CN)c(F)c1 Homo sapiens CHEMBL3888274 single protein format
CHEMBL3924778 OBDepict H 2 N O F Cl N O CH 3 CH 3 IC50 < 1000.0 nM 286.73 CN(C)C(=O)c1ccc(OC/C(=CF)CN)c(Cl)c1 Homo sapiens CHEMBL3888274 single protein format
CHEMBL3906960 OBDepict CH 3 NH S O O O F H 2 N IC50 < 1000.0 nM 288.34 CCNS(=O)(=O)c1ccc(OC/C(=CF)CN)cc1 Homo sapiens CHEMBL3888274 single protein format
CHEMBL3915780 OBDepict H 2 N O F N H O CH 3 H 3 C CH 3 IC50 < 1000.0 nM 280.34 CC(C)(C)NC(=O)c1ccc(OC/C(=CF)CN)cc1 Homo sapiens CHEMBL3888274 single protein format
CHEMBL537405 OBDepict NH 2 NH N N CH 3 H 3 C CH 3 CH 3 CH 3 ClH ClH IC50 = 1000.0 nM 309.29 CC(C)Nc1cncc(N(C)C(C)C)c1CN.Cl.Cl Homo sapiens CHEMBL828122 single protein format
CHEMBL3982106 OBDepict NH 2 O F O CH 3 N O H 3 C CH 3 IC50 < 1000.0 nM 282.31 COc1cc(C(=O)N(C)C)ccc1OC/C(=C/F)CN Homo sapiens CHEMBL3888274 single protein format
CHEMBL3897942 OBDepict H 2 N O F S HN O O CH 3 CH 3 IC50 < 1000.0 nM 302.37 CC(C)NS(=O)(=O)c1ccc(OC/C(=CF)CN)cc1 Homo sapiens CHEMBL3888274 single protein format
CHEMBL3953373 OBDepict NH 2 O F CH 3 N O CH 3 H 3 C IC50 < 1000.0 nM 266.32 Cc1cc(OC/C(=CF)CN)ccc1C(=O)N(C)C Homo sapiens CHEMBL3888274 single protein format
CHEMBL3949163 OBDepict CH 3 HN O O F H 2 N IC50 < 1000.0 nM 238.26 CNC(=O)c1ccc(OC/C(=C/F)CN)cc1 Homo sapiens CHEMBL3888274 single protein format
CHEMBL3900277 OBDepict H 2 N O F Br N O CH 3 CH 3 IC50 < 1000.0 nM 331.18 CN(C)C(=O)c1ccc(OC/C(=CF)CN)c(Br)c1 Homo sapiens CHEMBL3888274 single protein format