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Q8TCT1 | PHOP1_HUMAN | Phosphoethanolamine/phosphocholine phosphatase (PHOSPHO1)

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
CHEMBL1732623 OBDepict _ O + N O + N S O N O _ O F IC50 = 23.3 nM 335.27 O=c1c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2sn1-c1ccccc1F Homo sapiens CHEMBL1738189 single protein format
CHEMBL1724427 OBDepict F N S O + N + N O _ O O _ O IC50 = 34.8 nM 335.27 O=c1c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2sn1-c1cccc(F)c1 Homo sapiens CHEMBL1738189 single protein format
CHEMBL1606007 OBDepict Br N S O + N + N O _ O O _ O IC50 = 72.5 nM 396.18 O=c1c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2sn1-c1ccc(Br)cc1 Homo sapiens CHEMBL1738189 single protein format
CHEMBL1714665 OBDepict F N S O + N + N O _ O O _ O IC50 = 100.0 nM 335.27 O=c1c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2sn1-c1ccc(F)cc1 Homo sapiens CHEMBL1738189 single protein format
CHEMBL51085 OBDepict O N Se IC50 = 111.0 nM 274.18 O=c1c2ccccc2[se]n1-c1ccccc1 Homo sapiens CHEMBL1738189 single protein format
CHEMBL1570441 OBDepict CH 3 N CH 3 O N S O IC50 = 139.0 nM 298.37 CN(C)C(=O)c1cccc(-n2sc3ccccc3c2=O)c1 Homo sapiens CHEMBL1738189 single protein format
CHEMBL1725457 OBDepict _ O + N O + N S O N O _ O Cl F IC50 = 192.5 nM 369.72 O=c1c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2sn1-c1ccc(F)c(Cl)c1 Homo sapiens CHEMBL1738189 single protein format
CHEMBL1717022 OBDepict _ O + N O + N S O N O _ O O Cl F F IC50 = 233.0 nM 417.73 O=c1c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2sn1-c1ccc(OC(F)(F)Cl)cc1 Homo sapiens CHEMBL1738189 single protein format
CHEMBL1727796 OBDepict Cl N S O F F F + N O _ O IC50 = 252.0 nM 374.73 O=c1c2ccc([N+](=O)[O-])cc2sn1-c1cc(C(F)(F)F)ccc1Cl Homo sapiens CHEMBL1738189 single protein format
CHEMBL1705022 OBDepict F S N O Cl Cl IC50 = 359.0 nM 314.17 O=c1c2ccc(F)cc2sn1-c1cccc(Cl)c1Cl Homo sapiens CHEMBL1738189 single protein format
CHEMBL1733472 OBDepict F S N O Cl Cl IC50 = 384.5 nM 314.17 O=c1c2ccc(F)cc2sn1-c1cc(Cl)ccc1Cl Homo sapiens CHEMBL1738189 single protein format
CHEMBL480 OBDepict CH 3 O N + S _ O F F F N N H IC50 = 434.0 nM 369.37 Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1 Homo sapiens CHEMBL1738189 single protein format
CHEMBL1392315 OBDepict O N S S N O O IC50 = 489.0 nM 360.46 O=c1c2ccccc2sn1-c1ccc(S(=O)(=O)N2CCCC2)cc1 Homo sapiens CHEMBL1738189 single protein format
CHEMBL1339149 OBDepict O N S S N O O H 3 C H 3 C IC50 = 495.0 nM 334.42 CN(C)S(=O)(=O)c1cccc(-n2sc3ccccc3c2=O)c1 Homo sapiens CHEMBL1738189 single protein format
CHEMBL1731467 OBDepict _ N + N N + N S O N O _ O IC50 = 497.5 nM 313.3 [N-]=[N+]=Nc1cc([N+](=O)[O-])cc2sn(-c3ccccc3)c(=O)c12 Homo sapiens CHEMBL1738189 single protein format
CHEMBL1734915 OBDepict Cl Cl N S O F IC50 = 534.0 nM 314.17 O=c1c2ccc(F)cc2sn1-c1ccc(Cl)cc1Cl Homo sapiens CHEMBL1738189 single protein format
CHEMBL1728593 OBDepict O N S S N O O O IC50 = 545.0 nM 376.46 O=c1c2ccccc2sn1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 Homo sapiens CHEMBL1738189 single protein format
CHEMBL1726776 OBDepict _ O + N O O S N O F F F H 3 C Cl IC50 = 555.0 nM 418.78 Cc1c(Cl)cccc1-n1sc2cc([N+](=O)[O-])cc(OCC(F)(F)F)c2c1=O Homo sapiens CHEMBL1738189 single protein format
CHEMBL1713178 OBDepict H 3 C N S O O N S O H 3 C IC50 = 555.3 nM 362.48 CCN(CC)S(=O)(=O)c1cccc(-n2sc3ccccc3c2=O)c1 Homo sapiens CHEMBL1738189 single protein format
CHEMBL1722737 OBDepict F S N O Cl Cl Cl IC50 = 563.5 nM 348.61 O=c1c2ccc(F)cc2sn1-c1cc(Cl)c(Cl)cc1Cl Homo sapiens CHEMBL1738189 single protein format
CHEMBL1712661 OBDepict F N S O O + N O _ O F F F IC50 = 577.0 nM 388.3 O=c1c2c(OCC(F)(F)F)cc([N+](=O)[O-])cc2sn1-c1ccc(F)cc1 Homo sapiens CHEMBL1738189 single protein format
CHEMBL1709105 OBDepict CH 3 N CH 3 O O N S O IC50 = 755.0 nM 370.47 CCN(CC)CCOC(=O)c1ccc(-n2sc3ccccc3c2=O)cc1 Homo sapiens CHEMBL1738189 single protein format
CHEMBL1703200 OBDepict F S N O IC50 = 790.0 nM 245.28 O=c1c2ccc(F)cc2sn1-c1ccccc1 Homo sapiens CHEMBL3375685 single protein format
CHEMBL1406130 OBDepict F S O N IC50 = 792.0 nM 245.28 O=c1c2cc(F)ccc2sn1-c1ccccc1 Homo sapiens CHEMBL1738189 single protein format
CHEMBL1333250 OBDepict OH O N H S O O N S O IC50 = 808.0 nM 426.48 O=C(O)c1ccccc1NS(=O)(=O)c1cccc(-n2sc3ccccc3c2=O)c1 Homo sapiens CHEMBL1738189 single protein format
CHEMBL1704299 OBDepict Cl N S O O O IC50 = 820.0 nM 391.83 O=C1c2ccccc2C(=O)c2c1ccc1c(=O)n(-c3ccc(Cl)cc3)sc21 Homo sapiens CHEMBL1738189 single protein format
CHEMBL1369613 OBDepict CH 3 O O N S O IC50 = 824.0 nM 285.32 COC(=O)c1cccc(-n2sc3ccccc3c2=O)c1 Homo sapiens CHEMBL1738189 single protein format
CHEMBL45152 OBDepict O N S IC50 = 941.0 nM 227.29 O=c1c2ccccc2sn1-c1ccccc1 Homo sapiens CHEMBL1738189 single protein format