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P49773 | HINT1_HUMAN | Adenosine 5'-monophosphoramidase HINT1 (HINT1)

3D structures mapped by conservation among orthologs

[ Domain: "HIT-related" // HIT ]

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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
CHEMBL4855730 OBDepict F NH S N O O H 2 N O HN IC50 = -49100.0 nM 452.51 Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2F)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804473 cell-based format
CHEMBL4868141 OBDepict H 2 N N O O HN NH S O O IC50 = -41200.0 nM 532.67 Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2OC2CCCCC2)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804473 cell-based format
CHEMBL4867931 OBDepict H 3 C O N H S N O O H 2 N O HN IC50 = -1700.0 nM 464.55 COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1 Homo sapiens CHEMBL4804473 cell-based format
CHEMBL3140272 OBDepict O NH HN H H H S N H O S HN O O H O H OH H N H OH N N N NH 2 IC50 = 1000.0 nM 571.64 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4432902 cell-based format
CHEMBL1934757 OBDepict O O N H H O H HO H N H OH N H N N H 2 N N O H IC50 = 1000.0 nM 469.46 Nc1nc2c(ncn2[C@@H]2O[C@H](COC(=O)NCCc3c[nH]c4ccccc34)[C@@H](O)[C@H]2O)c(=O)[nH]1 Homo sapiens CHEMBL4476967 cell-based format