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P51575 | P2RX1_HUMAN | P2X purinoceptor 1 (P2RX1)

3D structures mapped by conservation among orthologs



[ 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
CHEMBL536151 OBDepict Cl OH N H O F F F F F F IC50 = 19.2 nM 383.68 O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O Homo sapiens CHEMBL4615154 cell-based format
CHEMBL2338696 OBDepict Cl HO N H O F F F F F F IC50 = 23.1 nM 383.68 O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1O Homo sapiens CHEMBL4615154 cell-based format
CHEMBL2179173 OBDepict Cl Cl N H O HO Cl IC50 = 29.3 nM 316.57 O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(Cl)ccc1O Homo sapiens CHEMBL4615154 cell-based format
CHEMBL4640175 OBDepict Cl HO N H O + N O _ O F F F IC50 = 31.6 nM 360.68 O=C(Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cc(Cl)ccc1O Homo sapiens CHEMBL4615154 cell-based format
CHEMBL2088014 OBDepict Cl HO N H O F F F IC50 = 38.3 nM 315.68 O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1O Homo sapiens CHEMBL4615154 cell-based format
CHEMBL2179174 OBDepict Cl HO N H O F F IC50 = 50.5 nM 283.66 O=C(Nc1cc(F)cc(F)c1)c1cc(Cl)ccc1O Homo sapiens CHEMBL4615154 cell-based format
CHEMBL2338695 OBDepict O N H OH Cl F F F F F F IC50 = 58.0 nM 383.68 O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(Cl)c1O Homo sapiens CHEMBL4615154 cell-based format
CHEMBL4644398 OBDepict O N H OH F F F F F F F IC50 = 70.6 nM 367.22 O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(F)c1O Homo sapiens CHEMBL4615154 cell-based format
CHEMBL2088011 OBDepict Cl N H O HO Cl IC50 = 75.6 nM 282.13 O=C(Nc1cccc(Cl)c1)c1cc(Cl)ccc1O Homo sapiens CHEMBL4615154 cell-based format
CHEMBL461542 OBDepict O N H OH F F F F F F IC50 = 76.9 nM 349.23 O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1O Homo sapiens CHEMBL4615154 cell-based format
CHEMBL589733 OBDepict Cl HO N H O F F F IC50 = 91.0 nM 315.68 O=C(Nc1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1O Homo sapiens CHEMBL4615154 cell-based format
CHEMBL2088009 OBDepict Cl HO N H O + N O _ O IC50 = 172.0 nM 292.68 O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(Cl)ccc1O Homo sapiens CHEMBL4615154 cell-based format
CHEMBL2088012 OBDepict Cl N H O HO Cl IC50 = 199.0 nM 282.13 O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1O Homo sapiens CHEMBL4615154 cell-based format
CHEMBL4637528 OBDepict O N H OH Cl + N O _ O F F F IC50 = 219.0 nM 360.68 O=C(Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(Cl)c1O Homo sapiens CHEMBL4615154 cell-based format
CHEMBL2313115 OBDepict CH 3 OH N H O F F F F F F IC50 = 236.0 nM 363.26 Cc1ccc(O)c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 Homo sapiens CHEMBL4615154 cell-based format
CHEMBL2178702 OBDepict Cl HO N H O H 3 C CH 3 IC50 = 323.0 nM 275.74 Cc1cc(C)cc(NC(=O)c2cc(Cl)ccc2O)c1 Homo sapiens CHEMBL4615154 cell-based format
CHEMBL4648128 OBDepict Cl HO N H O S O O F F F IC50 = 335.0 nM 379.74 O=C(Nc1cccc(S(=O)(=O)C(F)(F)F)c1)c1cc(Cl)ccc1O Homo sapiens CHEMBL4615154 cell-based format
CHEMBL2338686 OBDepict O N H OH F F F F F F IC50 = 341.0 nM 399.29 O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2ccccc2c1O Homo sapiens CHEMBL4615154 cell-based format
CHEMBL2313133 OBDepict Cl S OH HN O O F F F F F F IC50 = 439.0 nM 419.73 O=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O Homo sapiens CHEMBL4615154 cell-based format
CHEMBL190141 OBDepict O N H N N H H N H O N H S OH H HO H IC50 = 496.0 nM 525.68 O=C(N[C@H](Cc1cscn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1)c1nc2ccccc2[nH]1 Homo sapiens CHEMBL4615154 cell-based format
CHEMBL2179168 OBDepict N N H O HO Cl IC50 = 522.0 nM 272.69 N#Cc1cccc(NC(=O)c2cc(Cl)ccc2O)c1 Homo sapiens CHEMBL4615154 cell-based format
CHEMBL2179170 OBDepict Cl HO N H O CH 3 CH 3 H 3 C IC50 = 567.0 nM 303.79 CC(C)(C)c1cccc(NC(=O)c2cc(Cl)ccc2O)c1 Homo sapiens CHEMBL4615154 cell-based format
CHEMBL4639803 OBDepict O N H HO CH 3 F F F F F F IC50 = 655.0 nM 363.26 Cc1cccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1O Homo sapiens CHEMBL4615154 cell-based format
CHEMBL2313119 OBDepict CH 3 O OH N H O F F F F F F IC50 = 755.0 nM 379.26 COc1ccc(O)c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 Homo sapiens CHEMBL4615154 cell-based format
CHEMBL3628655 OBDepict O N H OH + N O _ O F F F F F F IC50 = 869.0 nM 394.23 O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1O Homo sapiens CHEMBL4615154 cell-based format
CHEMBL2312822 OBDepict F N H O HO Cl IC50 = 907.0 nM 265.67 O=C(Nc1ccc(F)cc1)c1cc(Cl)ccc1O Homo sapiens CHEMBL4615154 cell-based format
CHEMBL4634436 OBDepict CH 3 O N H O H 3 C O OH Cl IC50 = 915.0 nM 307.73 COc1cc(NC(=O)c2cc(Cl)ccc2O)cc(OC)c1 Homo sapiens CHEMBL4615154 cell-based format