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P22234 | PUR6_HUMAN | Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (PAICS)

3D structures mapped by conservation among orthologs

[ Domain: "N5-CAIR mutase (phosphoribosylaminoimidazole carboxylase, PurE)" // AIRC ]

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[ Domain: "SAICAR synthase" // SAICAR_synt ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4438093 OBDepict NH 2 O N NH O Cl N O N H IC50 = 10.0 nM 399.84 Nc1nc(C(=O)Nc2cc(-c3ccc(OC4CCNC4)nc3)ccc2Cl)co1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4446674 OBDepict CH 3 N H N N N H Cl O N O H 2 N IC50 = 10.0 nM 388.86 CCNCCCn1cc(-c2ccc(Cl)c(NC(=O)c3coc(N)n3)c2)cn1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4581822 OBDepict CH 3 N H N N S N H Cl O N O H 2 N IC50 < 10.0 nM 446.96 CNC1CCCN(Cc2ncc(-c3ccc(Cl)c(NC(=O)c4coc(N)n4)c3)s2)C1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4435251 OBDepict CH 3 N H N N S N H Cl O N O H 2 N IC50 < 10.0 nM 446.96 CNC1CCN(Cc2ncc(-c3ccc(Cl)c(NC(=O)c4coc(N)n4)c3)s2)CC1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4463953 OBDepict H 2 N O N HN O Cl S N N NH IC50 < 10.0 nM 418.91 Nc1nc(C(=O)Nc2cc(-c3nc(CN4CCNCC4)cs3)ccc2Cl)co1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4482890 OBDepict NH 2 O N NH O Cl S N O N H IC50 < 10.0 nM 419.89 Nc1nc(C(=O)Nc2cc(-c3cnc(OC4CCNCC4)s3)ccc2Cl)co1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4516565 OBDepict CH 3 N H 3 C O N S N H Cl O N O H 2 N IC50 < 10.0 nM 421.91 CN(C)CCCOc1ncc(-c2ccc(Cl)c(NC(=O)c3coc(N)n3)c2)s1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4446774 OBDepict CH 3 N H N N N H Cl O N O H 2 N IC50 < 10.0 nM 414.9 CNC1CCC(n2cc(-c3ccc(Cl)c(NC(=O)c4coc(N)n4)c3)cn2)CC1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4593253 OBDepict H 2 N O N N H O Cl N N NH IC50 = 10.0 nM 400.87 Nc1nc(C(=O)Nc2cc(-c3cnn(CCCNC4CC4)c3)ccc2Cl)co1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4442163 OBDepict CH 3 HN CH 3 O N HN Cl O N O NH 2 IC50 = 10.0 nM 429.91 CC(C)NCCCOc1ccc(-c2ccc(Cl)c(NC(=O)c3coc(N)n3)c2)cn1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4534524 OBDepict H 3 C NH N N HN Cl O N O NH 2 IC50 < 10.0 nM 374.83 CNCCCn1cc(-c2ccc(Cl)c(NC(=O)c3coc(N)n3)c2)cn1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4468822 OBDepict NH 2 O N NH O Cl N O HN IC50 = 10.0 nM 427.89 Nc1nc(C(=O)Nc2cc(-c3ccc(OCC4CCCNC4)nc3)ccc2Cl)co1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4439335 OBDepict NH 2 O N NH O Cl N HN IC50 = 10.0 nM 411.89 Nc1nc(C(=O)Nc2cc(-c3ccc(CN4CCNCC4)cc3)ccc2Cl)co1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4586958 OBDepict H 3 C NH N N S N H Cl O N O H 2 N IC50 = 10.0 nM 460.99 CNCC1CCN(Cc2ncc(-c3ccc(Cl)c(NC(=O)c4coc(N)n4)c3)s2)CC1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4445327 OBDepict NH 2 O N NH O Cl S N N N H IC50 = 10.0 nM 418.91 Nc1nc(C(=O)Nc2cc(-c3cnc(CN4CCNCC4)s3)ccc2Cl)co1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4466413 OBDepict NH 2 O N NH O Cl N N H H H H 2 N IC50 = 10.0 nM 440.94 Nc1nc(C(=O)Nc2cc(-c3ccc(CN[C@H]4CC[C@H](N)CC4)nc3)ccc2Cl)co1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4575613 OBDepict CH 3 N NH N HN Cl O N O NH 2 IC50 = 10.0 nM 440.94 CN1CCC(NCc2ccc(-c3ccc(Cl)c(NC(=O)c4coc(N)n4)c3)cn2)CC1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4551539 OBDepict H 2 N O N HN O Cl N N NH IC50 = 10.0 nM 438.92 Nc1nc(C(=O)Nc2cc(-c3ccc(CN4CC5CNCC5C4)nc3)ccc2Cl)co1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4536252 OBDepict H 3 C N CH 3 O N HN Cl O N O NH 2 IC50 = 10.0 nM 415.88 CN(C)CCCOc1ccc(-c2ccc(Cl)c(NC(=O)c3coc(N)n3)c2)cn1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4514185 OBDepict NH 2 O N NH O Cl N N O HN IC50 = 10.0 nM 414.85 Nc1nc(C(=O)Nc2cc(-c3cnc(OC4CCNCC4)nc3)ccc2Cl)co1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4516567 OBDepict NH 2 O N NH O Cl N O HN IC50 = 10.0 nM 413.87 Nc1nc(C(=O)Nc2cc(-c3ccc(OC4CCNCC4)nc3)ccc2Cl)co1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4448446 OBDepict NH 2 O N NH O Cl N N N N H IC50 < 10.0 nM 429.91 Nc1nc(C(=O)Nc2cc(-c3cnn(CCCN4CCNCC4)c3)ccc2Cl)co1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4459387 OBDepict H 3 C NH N N HN Cl O N O NH 2 IC50 = 10.0 nM 374.83 CCNCCn1cc(-c2ccc(Cl)c(NC(=O)c3coc(N)n3)c2)cn1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4578668 OBDepict H 2 N O N HN O Cl N H 3 C N NH IC50 = 10.0 nM 400.87 Cc1nn(C2CCNCC2)cc1-c1ccc(Cl)c(NC(=O)c2coc(N)n2)c1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4455550 OBDepict NH 2 O N NH O Cl N N HN IC50 = 10.0 nM 386.84 Nc1nc(C(=O)Nc2cc(-c3ccn(C4CCNCC4)n3)ccc2Cl)co1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4565482 OBDepict N N N N H NH Cl O N O H 2 N IC50 = 10.0 nM 411.85 N#Cc1nn(C2CCNCC2)cc1-c1ccc(Cl)c(NC(=O)c2coc(N)n2)c1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4546611 OBDepict CH 3 N N N N N H Cl O N O H 2 N IC50 = 10.0 nM 443.94 CN1CCN(CCCn2cc(-c3ccc(Cl)c(NC(=O)c4coc(N)n4)c3)cn2)CC1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4474352 OBDepict CH 3 HN O N HN Cl O N O NH 2 IC50 = 10.0 nM 401.85 CNCCCOc1ccc(-c2ccc(Cl)c(NC(=O)c3coc(N)n3)c2)cn1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4518584 OBDepict CH 3 N H N N N H Cl O N O H 2 N IC50 = 10.0 nM 360.81 CNCCn1cc(-c2ccc(Cl)c(NC(=O)c3coc(N)n3)c2)cn1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4473997 OBDepict CH 3 N CH 3 O N HN Cl O N O NH 2 IC50 = 25.0 nM 401.85 CN(C)CCOc1ccc(-c2ccc(Cl)c(NC(=O)c3coc(N)n3)c2)cn1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4470155 OBDepict H 3 C N CH 3 O N HN Cl O N O NH 2 IC50 = 25.0 nM 415.88 CN(C)CCCOc1ccc(-c2ccc(Cl)c(NC(=O)c3coc(N)n3)c2)nc1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4462176 OBDepict CH 3 S N H O N N O NH 2 O N H 3 C CH 3 IC50 = 25.0 nM 427.53 CSc1ccc(-c2ccc(OCCCN(C)C)nc2)cc1NC(=O)c1coc(N)n1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4444329 OBDepict CH 3 N H 3 C O S N N H Cl O N O H 2 N IC50 = 25.0 nM 421.91 CN(C)CCCOc1nc(-c2ccc(Cl)c(NC(=O)c3coc(N)n3)c2)cs1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4578225 OBDepict NH 2 O N NH O Cl N N HN IC50 = 25.0 nM 372.82 Nc1nc(C(=O)Nc2cc(-c3cnn(C4CCNC4)c3)ccc2Cl)co1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4570990 OBDepict CH 3 N H 3 C N N HN Cl O N O NH 2 IC50 = 25.0 nM 388.86 CN(C)CCCn1cc(-c2ccc(Cl)c(NC(=O)c3coc(N)n3)c2)cn1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4585820 OBDepict NH 2 O N NH O Cl N N N HN IC50 = 25.0 nM 415.89 Nc1nc(C(=O)Nc2cc(-c3cnn(CCN4CCNCC4)c3)ccc2Cl)co1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4516092 OBDepict NH 2 O N NH O Cl N N HN IC50 = 25.0 nM 412.88 Nc1nc(C(=O)Nc2cc(-c3ccc(CN4CCNCC4)nc3)ccc2Cl)co1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4458444 OBDepict CH 3 N N N N N H Cl O N O H 2 N IC50 = 25.0 nM 429.91 CN1CCN(CCn2cc(-c3ccc(Cl)c(NC(=O)c4coc(N)n4)c3)cn2)CC1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4590239 OBDepict H 3 C N CH 3 HN O N N NH Cl O N O H 2 N IC50 = 25.0 nM 431.88 CN(C)CCNC(=O)Cn1cc(-c2ccc(Cl)c(NC(=O)c3coc(N)n3)c2)cn1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4538041 OBDepict CH 3 N CH 3 N O N N N H Cl O N O H 2 N IC50 = 25.0 nM 471.95 CN(C)C1CCN(C(=O)Cn2cc(-c3ccc(Cl)c(NC(=O)c4coc(N)n4)c3)cn2)CC1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4466767 OBDepict CH 3 N N H O N N N H Cl O N O H 2 N IC50 = 25.0 nM 457.92 CN1CCC(NC(=O)Cn2cc(-c3ccc(Cl)c(NC(=O)c4coc(N)n4)c3)cn2)CC1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4476811 OBDepict CH 3 N H 3 C N O N N N H Cl O N O H 2 N IC50 = 25.0 nM 471.95 CN(C)CCC(=O)N1CC(Cn2cc(-c3ccc(Cl)c(NC(=O)c4coc(N)n4)c3)cn2)C1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4446513 OBDepict CH 3 N CH 3 O HN Cl O N O NH 2 IC50 = 25.0 nM 400.87 CN(C)CCOc1ccc(-c2ccc(Cl)c(NC(=O)c3coc(N)n3)c2)cc1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4454750 OBDepict CH 3 N CH 3 O N N HN Cl O N O NH 2 IC50 = 25.0 nM 402.84 CN(C)CCOc1ncc(-c2ccc(Cl)c(NC(=O)c3coc(N)n3)c2)cn1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4445038 OBDepict CH 3 N N N HN Cl O N O NH 2 IC50 = 25.0 nM 426.91 CN1CCN(Cc2ccc(-c3ccc(Cl)c(NC(=O)c4coc(N)n4)c3)cn2)CC1 Homo sapiens CHEMBL4418466 single protein format
CHEMBL4451506 OBDepict NH 2 O N NH O Cl N N HN IC50 = 25.0 nM 386.84 Nc1nc(C(=O)Nc2cc(-c3cnn(C4CCNCC4)c3)ccc2Cl)co1 Homo sapiens CHEMBL4418466 single protein format