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Q9Y2R2 | PTN22_HUMAN | Tyrosine-protein phosphatase non-receptor type 22 (PTPN22)

3D structures mapped by conservation among orthologs

[ Domain: "(Phosphotyrosine protein) phosphatases II" // Y_phosphatase ]

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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
CHEMBL2396719 OBDepict O N H O O OH O OH Cl Ki = 110.0 nM 501.92 O=C(COc1ccc(-c2oc3cc(O)c(C(=O)O)cc3c2C#Cc2cccc(Cl)c2)cc1)NC1CC1 Homo sapiens CHEMBL2400644 assay format
CHEMBL1701224 OBDepict OH O O N N H O N S N H Cl IC50 = 113.0 nM 506.97 O=C(O)COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1 Homo sapiens CHEMBL1738445 single protein format
CHEMBL2396718 OBDepict CH 3 N H O O O OH O OH Cl IC50 = 171.0 nM 503.94 CCCNC(=O)COc1ccc(-c2oc3cc(O)c(C(=O)O)cc3c2C#Cc2cccc(Cl)c2)cc1 Homo sapiens CHEMBL2401204 assay format
CHEMBL2396719 OBDepict O N H O O OH O OH Cl IC50 = 259.0 nM 501.92 O=C(COc1ccc(-c2oc3cc(O)c(C(=O)O)cc3c2C#Cc2cccc(Cl)c2)cc1)NC1CC1 Homo sapiens CHEMBL2401470 assay format
CHEMBL2396720 OBDepict O N H O O OH O OH Cl IC50 = 263.0 nM 537.96 O=C(COc1ccc(-c2oc3cc(O)c(C(=O)O)cc3c2C#Cc2cccc(Cl)c2)cc1)Nc1ccccc1 Homo sapiens CHEMBL2401204 assay format
CHEMBL2396717 OBDepict O N H O CH 3 H 3 C O OH O OH Cl IC50 = 300.0 nM 580.04 CC(C)c1ccc(NC(=O)COc2cccc(-c3oc4cc(O)c(C(=O)O)cc4c3C#Cc3cccc(Cl)c3)c2)cc1 Homo sapiens CHEMBL2401470 assay format
CHEMBL2396721 OBDepict O HN O O OH O OH Cl IC50 = 310.0 nM 596.08 O=C(COc1ccc(-c2oc3cc(O)c(C(=O)O)cc3c2C#Cc2cccc(Cl)c2)cc1)NC12CC3CC(CC(C3)C1)C2 Homo sapiens CHEMBL2401204 assay format
CHEMBL1650889 OBDepict CH 3 O O N N N HO O HO N H O IC50 = 340.0 nM 562.58 COc1ccc(-c2oc3cc(O)c(C(=O)O)cc3c2-c2cn(CCCC(=O)Nc3cccc4ccccc34)nn2)cc1 Homo sapiens CHEMBL1664624 single protein format
CHEMBL1650891 OBDepict O N H N N Cl N O O HO HO CH 3 IC50 = 380.0 nM 581.03 Cc1ccc(-c2oc3cc(O)c(C(=O)O)cc3c2-c2cn(CCCC(=O)Nc3ccc(Cl)c4ccccc34)nn2)cc1 Homo sapiens CHEMBL1664624 single protein format
CHEMBL442448 OBDepict H 3 C O O OH S S O N O O HO IC50 = 390.0 nM 433.46 COC(=O)c1cc(-c2ccc(/C=C3SC(=O)N(CCC(=O)O)C3=O)s2)ccc1O Homo sapiens CHEMBL927977 single protein format
CHEMBL1650892 OBDepict O N H N N N O O HO HO CH 3 IC50 = 410.0 nM 546.58 Cc1ccc(-c2oc3cc(O)c(C(=O)O)cc3c2-c2cn(CCCC(=O)Nc3cccc4ccccc34)nn2)cc1 Homo sapiens CHEMBL1664624 single protein format
CHEMBL1650893 OBDepict CH 3 O S N N H O N N N O H 3 C O HO HO IC50 = 520.0 nM 583.63 COc1ccc2nc(NC(=O)CCCn3cc(-c4c(-c5cccc(C)c5)oc5cc(O)c(C(=O)O)cc45)nn3)sc2c1 Homo sapiens CHEMBL1664624 single protein format
CHEMBL1650894 OBDepict O N H N N Cl N O O OH OH IC50 = 560.0 nM 567.0 O=C(CCCn1cc(-c2c(-c3ccccc3)oc3cc(O)c(C(=O)O)cc23)nn1)Nc1ccc(Cl)c2ccccc12 Homo sapiens CHEMBL1664624 single protein format
CHEMBL2396714 OBDepict HO O OH O Cl O Cl F F F IC50 = 610.0 nM 507.25 O=C(O)c1cc2c(C#Cc3ccc(Cl)c(Cl)c3)c(-c3ccc(OC(F)(F)F)cc3)oc2cc1O Homo sapiens CHEMBL2401204 assay format
CHEMBL1650895 OBDepict O N H S N N N N F O H 3 C O OH OH IC50 = 610.0 nM 571.59 Cc1cccc(-c2oc3cc(O)c(C(=O)O)cc3c2-c2cn(CCCC(=O)Nc3nc4ccc(F)cc4s3)nn2)c1 Homo sapiens CHEMBL1664624 single protein format
CHEMBL2316908 OBDepict OH O HO O O IC50 = 630.0 nM 446.46 O=C(O)c1cc2c(C#Cc3ccc(Oc4ccccc4)cc3)c(-c3ccccc3)oc2cc1O Homo sapiens CHEMBL2317716 assay format
CHEMBL1650896 OBDepict O N H N N + N N O _ O O O HO HO CH 3 IC50 = 640.0 nM 591.58 Cc1ccc(-c2oc3cc(O)c(C(=O)O)cc3c2-c2cn(CCCC(=O)Nc3ccc([N+](=O)[O-])c4ccccc34)nn2)cc1 Homo sapiens CHEMBL1664624 single protein format
CHEMBL1650898 OBDepict O N H N N N O CH 3 O HO HO IC50 = 650.0 nM 510.55 Cc1cccc(-c2oc3cc(O)c(C(=O)O)cc3c2-c2cn(CCCC(=O)NCc3ccccc3)nn2)c1 Homo sapiens CHEMBL1664624 single protein format
CHEMBL1650897 OBDepict O N H N N N O CH 3 O HO HO IC50 = 650.0 nM 496.52 Cc1cccc(-c2oc3cc(O)c(C(=O)O)cc3c2-c2cn(CCCC(=O)Nc3ccccc3)nn2)c1 Homo sapiens CHEMBL1664624 single protein format
CHEMBL2396713 OBDepict Cl O O OH HO O F F F IC50 = 680.0 nM 472.8 O=C(O)c1cc2c(C#Cc3cccc(Cl)c3)c(-c3ccc(OC(F)(F)F)cc3)oc2cc1O Homo sapiens CHEMBL2401470 assay format
CHEMBL1650900 OBDepict O N H N N N O O HO HO IC50 = 740.0 nM 496.52 O=C(CCCn1cc(-c2c(-c3ccccc3)oc3cc(O)c(C(=O)O)cc23)nn1)NCc1ccccc1 Homo sapiens CHEMBL1664624 single protein format
CHEMBL1650901 OBDepict O N H N N N O O OH OH IC50 = 770.0 nM 504.5 O=C(Cn1cc(-c2c(-c3ccccc3)oc3cc(O)c(C(=O)O)cc23)nn1)Nc1cccc2ccccc12 Homo sapiens CHEMBL1664624 single protein format
CHEMBL1650902 OBDepict O N H N N N O O OH OH H 3 C IC50 = 900.0 nM 502.57 Cc1ccc(-c2oc3cc(O)c(C(=O)O)cc3c2-c2cn(CCCC(=O)NC3CCCCC3)nn2)cc1 Homo sapiens CHEMBL1664624 single protein format
CHEMBL1650903 OBDepict O NH N N N O O HO HO IC50 = 910.0 nM 518.53 O=C(CCn1cc(-c2c(-c3ccccc3)oc3cc(O)c(C(=O)O)cc23)nn1)Nc1cccc2ccccc12 Homo sapiens CHEMBL1664624 single protein format
CHEMBL1650904 OBDepict O N H N N N O O HO HO CH 3 IC50 = 970.0 nM 510.55 Cc1ccc(-c2oc3cc(O)c(C(=O)O)cc3c2-c2cn(CCCC(=O)NCc3ccccc3)nn2)cc1 Homo sapiens CHEMBL1664624 single protein format
CHEMBL403994 OBDepict OH O N S S O O N S IC50 = 980.0 nM 416.51 O=C(O)CCN1C(=O)/C(=Cc2ccc(-c3nc4ccccc4s3)o2)SC1=S Homo sapiens CHEMBL927977 single protein format
CHEMBL2316905 OBDepict Cl O O HO OH IC50 = 990.0 nM 388.81 O=C(O)c1cc2c(C#Cc3cccc(Cl)c3)c(-c3ccccc3)oc2cc1O Homo sapiens CHEMBL2317716 assay format
CHEMBL256098 OBDepict O N H N H 3 C O S O CH 3 N O HO IC50 = 1000.0 nM 475.53 Cc1ccc(NC(=O)CN2C(=O)S/C(=Cc3cccn3-c3cccc(C(=O)O)c3)C2=O)c(C)c1 Homo sapiens CHEMBL927977 single protein format