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P31939 | PUR9_HUMAN | Bifunctional purine biosynthesis protein ATIC (ATIC)

3D structures mapped by conservation among orthologs

[ Domain: "Cytidine deaminase-like" // AICARFT_IMPCHas_1st ]

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[ Domain: "Cytidine deaminase-like" // AICARFT_IMPCHas_2nd ]

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[ Domain: "Methylglyoxal synthase-like" // MGS ]

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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
CHEMBL4100363 OBDepict H 3 C CH 3 O N H S S NH O O F O N H IC50 < 5.0 nM 461.54 CCC1(C)CC(c2ccc(S(=O)(=O)Nc3cc4c(=O)[nH]ccc4cc3F)s2)=CNC1=O Homo sapiens CHEMBL4022773 assay format
CHEMBL4075503 OBDepict F NH S O O S N H O N O H IC50 < 5.0 nM 417.44 O=c1ccc(-c2ccc(S(=O)(=O)Nc3cc4c(=O)[nH]ccc4cc3F)s2)c[nH]1 Homo sapiens CHEMBL4022773 assay format
CHEMBL4083899 OBDepict O N H CH 3 CH 3 S S NH O O F O N H IC50 < 5.0 nM 447.51 CC1(C)CC(c2ccc(S(=O)(=O)Nc3cc4c(=O)[nH]ccc4cc3F)s2)=CNC1=O Homo sapiens CHEMBL4022773 assay format
CHEMBL1231520 OBDepict HO O N H H O OH O S HN O O N O N H NH 2 Ki = 6.0 nM 489.47 Nc1nc2ccc(NS(=O)(=O)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4022828 single protein format
CHEMBL4081385 OBDepict F HN S O O S N H F H HO N O H IC50 = 7.8 nM 427.45 O=c1[nH]ccc2cc(F)c(NS(=O)(=O)c3ccc(N4C[C@H](F)[C@H](O)C4)s3)cc12 Homo sapiens CHEMBL4022773 assay format
CHEMBL4168306 OBDepict OH O HN H O HO O HN S O O N O N H H 2 N Ki = 8.0 nM 489.47 Nc1nc2ccc(S(=O)(=O)Nc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4132838 single protein format
CHEMBL4091668 OBDepict F HN S O O S N F F H HO N O H IC50 = 12.0 nM 445.44 O=c1[nH]ccc2cc(F)c(NS(=O)(=O)c3ccc(N4C[C@@H](O)C(F)(F)C4)s3)cc12 Homo sapiens CHEMBL4022773 assay format
CHEMBL4070790 OBDepict F HN S O O S N F F H HO N O H IC50 = 13.0 nM 445.44 O=c1[nH]ccc2cc(F)c(NS(=O)(=O)c3ccc(N4C[C@H](O)C(F)(F)C4)s3)cc12 Homo sapiens CHEMBL4022773 assay format
CHEMBL4076500 OBDepict HO N S S HN O O F O N H IC50 = 13.0 nM 423.49 O=c1[nH]ccc2cc(F)c(NS(=O)(=O)c3ccc(N4CCC(O)CC4)s3)cc12 Homo sapiens CHEMBL4022773 assay format
CHEMBL4074469 OBDepict F N H S O O S N H OH N O H IC50 = 14.0 nM 409.46 O=c1[nH]ccc2cc(F)c(NS(=O)(=O)c3ccc(N4CC[C@H](O)C4)s3)cc12 Homo sapiens CHEMBL4022773 assay format
CHEMBL4063104 OBDepict F N H S O O S N H OH N O H IC50 = 16.0 nM 409.46 O=c1[nH]ccc2cc(F)c(NS(=O)(=O)c3ccc(N4CC[C@@H](O)C4)s3)cc12 Homo sapiens CHEMBL4022773 assay format
CHEMBL4079085 OBDepict F N H S O O S N H OH N O H IC50 = 18.0 nM 423.49 O=c1[nH]ccc2cc(F)c(NS(=O)(=O)c3ccc(N4CCC[C@H](O)C4)s3)cc12 Homo sapiens CHEMBL4022773 assay format
CHEMBL4099409 OBDepict F HN S O O S N H F H HO N O H IC50 = 20.0 nM 427.45 O=c1[nH]ccc2cc(F)c(NS(=O)(=O)c3ccc(N4C[C@H](O)[C@H](F)C4)s3)cc12 Homo sapiens CHEMBL4022773 assay format
CHEMBL4101204 OBDepict F N H S O O S N H OH N O H IC50 = 26.0 nM 423.49 O=c1[nH]ccc2cc(F)c(NS(=O)(=O)c3ccc(N4CCC[C@@H](O)C4)s3)cc12 Homo sapiens CHEMBL4022773 assay format
CHEMBL484860 OBDepict O NH S N O O N H H N Ki = 130.0 nM 188.17 O=C1NS(=O)(=O)Nc2nc[nH]c21 Homo sapiens CHEMBL1003205 single protein format
CHEMBL484861 OBDepict O NH S N O O HN N H O H OH H H HO O P O OH HO Ki = 150.0 nM 400.26 O=C1NS(=O)(=O)Nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL1003205 single protein format
CHEMBL375938 OBDepict NH 2 S O O N N S O O HO Ki = 154.0 nM 441.49 NS(=O)(=O)c1cccc2cc(/N=N/c3cccc4c(S(=O)(=O)O)cccc34)ccc12 Homo sapiens CHEMBL914875 single protein format
CHEMBL485481 OBDepict HO H O H HO H N H HO N HN S O O NH O Ki = 230.0 nM 320.28 O=C1NS(=O)(=O)Nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Homo sapiens CHEMBL1003205 single protein format
CHEMBL521310 OBDepict O N H N N O H 2 N H O H OH H H HO O P O HO OH Ki = 400.0 nM 366.22 NC(=O)c1ncn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1NC=O Homo sapiens CHEMBL1003205 single protein format
CHEMBL375938 OBDepict NH 2 S O O N N S O O HO IC50 = 600.0 nM 441.49 NS(=O)(=O)c1cccc2cc(/N=N/c3cccc4c(S(=O)(=O)O)cccc34)ccc12 Homo sapiens CHEMBL914875 single protein format
CHEMBL4092503 OBDepict N S NH O O O N H IC50 = 608.0 nM 325.35 N#Cc1ccc(S(=O)(=O)Nc2ccc3cc[nH]c(=O)c3c2)cc1 Homo sapiens CHEMBL4022773 assay format
CHEMBL13659 OBDepict OH O N H H O OH O N H NH 2 N HO N NH 2 IC50 = 700.0 nM 432.44 Nc1nc(N)c(CCCNc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)c(O)n1 Homo sapiens CHEMBL642461 cell-based format
CHEMBL4084757 OBDepict N S NH O O F O N H IC50 = 723.0 nM 343.34 N#Cc1ccc(S(=O)(=O)Nc2cc3c(=O)[nH]ccc3cc2F)cc1 Homo sapiens CHEMBL4022773 assay format
CHEMBL34259 OBDepict OH O HN H O HO O N CH 3 N N N NH 2 N H 2 N Ki = 880.0 nM 454.45 CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 Homo sapiens CHEMBL4714608 cell-based format
CHEMBL1231520 OBDepict HO O N H H O OH O S HN O O N O N H NH 2 IC50 = 1000.0 nM 489.47 Nc1nc2ccc(NS(=O)(=O)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1 Homo sapiens CHEMBL4022773 assay format