P31939 | PUR9_HUMAN | Bifunctional purine biosynthesis protein ATIC (ATIC)
Pfam Domain Table
| Accession | Domain | Range | Color |
|---|---|---|---|
| PF01808 | AICARFT_IMPCHas - AICARFT/IMPCHase bienzyme | 135~461 | |
| PF02142 | MGS - MGS-like domain | 16~130 |
3D structures mapped by conservation among orthologs
[ Domain: "Cytidine deaminase-like" // AICARFT_IMPCHas_1st ]
[ Domain: "Cytidine deaminase-like" // AICARFT_IMPCHas_2nd ]
[ Domain: "Methylglyoxal synthase-like" // MGS ]
[ Alpha Fold Model ] (go)
Known binders annotated in ChEMBL
| molecule_chembl_id | structure | assay_type | relation | value | unit | mol_wt | smiles | organism | assay_chembl_id | bao_label |
|---|---|---|---|---|---|---|---|---|---|---|
| CHEMBL4100363 |  |
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 |  |
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 |  |
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 |
| CHEMBL4081385 |  |
IC50 | = | 7.8 | 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 |
| CHEMBL4091668 |  |
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 |  |
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 |  |
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 |  |
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 |  |
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 |  |
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 |  |
IC50 | = | 20.0 | 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 |
| CHEMBL4101204 |  |
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 |
| CHEMBL375938 |  |
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 |  |
IC50 | = | 608.0 | nM | 325.35 | N#Cc1ccc(S(=O)(=O)Nc2ccc3cc[nH]c(=O)c3c2)cc1 | Homo sapiens | CHEMBL4022773 | assay format |
| CHEMBL13659 |  |
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 |  |
IC50 | = | 723.0 | nM | 343.34 | N#Cc1ccc(S(=O)(=O)Nc2cc3c(=O)[nH]ccc3cc2F)cc1 | Homo sapiens | CHEMBL4022773 | assay format |
| CHEMBL1231520 |  |
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 |
| CHEMBL1231520 | |
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 |
| CHEMBL4168306 |  |
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 |
| CHEMBL484860 |  |
Ki | = | 130.0 | nM | 188.17 | O=C1NS(=O)(=O)Nc2nc[nH]c21 | Homo sapiens | CHEMBL1003205 | single protein format |