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P18031 | PTN1_HUMAN | Tyrosine-protein phosphatase non-receptor type 1 (PTPN1)

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
CHEMBL244563 OBDepict HO O O Cl S O HO N H N S O O Ki = 0.68 nM 565.07 O=C(O)COc1c(C(=O)O)sc(-c2cccc(NC3CCN(S(=O)(=O)Cc4ccccc4)CC3)c2)c1Cl Homo sapiens CHEMBL896126 single protein format
CHEMBL1232859 OBDepict HO O NH 2 H P F F O OH HO Ki = 2.4 nM 295.18 N[C@@H](Cc1ccc(C(F)(F)P(=O)(O)O)cc1)C(=O)O Homo sapiens CHEMBL2015664 cell-based format
CHEMBL426373 OBDepict H 3 C O O O HO H HO IC50 = 4.5 nM 368.51 CCCCCCCCCCCCCCCC(=O)C1=C(O)[C@@H](CO)OC1=O Homo sapiens CHEMBL854190 single protein format
CHEMBL411295 OBDepict Br P F F O OH OH N O OH IC50 = 7.0 nM 484.19 O=C(O)c1cccc(/C=C/c2ccc3cc(Br)c(C(F)(F)P(=O)(O)O)cc3n2)c1 Homo sapiens CHEMBL936456 single protein format
CHEMBL230325 OBDepict HO O O Br S O HO HN N N H O Ki = 7.0 nM 588.48 O=C(O)COc1c(C(=O)O)sc(-c2cccc(NCC3CCN(C(=O)Nc4ccccc4)CC3)c2)c1Br Homo sapiens CHEMBL896126 single protein format
CHEMBL244361 OBDepict HO O O H 3 C S O HO N H N S O O Ki = 8.0 nM 544.65 Cc1c(-c2cccc(NC3CCN(S(=O)(=O)Cc4ccccc4)CC3)c2)sc(C(=O)O)c1OCC(=O)O Homo sapiens CHEMBL896126 single protein format
CHEMBL604457 OBDepict O N S O O HO O S Cl O O CH 3 IC50 = 12.6 nM 451.95 CS(=O)(=O)OC1C(Cl)CCCC1Cc1ccc(N2CC(=O)CS2(=O)=O)c(O)c1 Homo sapiens CHEMBL1071696 single protein format
CHEMBL230543 OBDepict HO O O Br S O HO O N N H O Ki = 13.0 nM 589.46 O=C(O)COc1c(C(=O)O)sc(-c2cccc(OCC3CCN(C(=O)Nc4ccccc4)CC3)c2)c1Br Homo sapiens CHEMBL896126 single protein format
CHEMBL592290 OBDepict O N S O O OH F IC50 = 14.0 nM 341.4 O=C1CN(c2c(O)cc(CC3CCCCC3)cc2F)S(=O)(=O)C1 Homo sapiens CHEMBL1071696 single protein format
CHEMBL381584 OBDepict F S HN O O H N N H F H S O O _ N O + Na IC50 = 15.0 nM 568.56 O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(F)c3)c3nc4ccccc4[nH]3)cc2F)S(=O)(=O)[N-]1.[Na+] Homo sapiens CHEMBL870503 single protein format
CHEMBL410646 OBDepict OH P O OH F F N CH 3 N N IC50 = 16.0 nM 443.39 CC(Cc1ccc(C(F)(F)P(=O)(O)O)cc1)(c1ccccc1)n1nnc2ccccc21 Homo sapiens CHEMBL936456 single protein format
CHEMBL185891 OBDepict F N H N H O HN S NH O OH O O OH Ki = 18.0 nM 460.44 O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCNC2CNC(=O)c1cc2cc(F)ccc2[nH]1 Homo sapiens CHEMBL838509 single protein format
CHEMBL591998 OBDepict F N H N H O H N H S N H O HO O O HO Ki = 18.0 nM 460.44 O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN[C@H]2CNC(=O)c1cc2cc(F)ccc2[nH]1 Homo sapiens CHEMBL1071696 single protein format
CHEMBL211352 OBDepict N S HN O O H N N H CH 3 H S O O _ N O + Na IC50 = 18.0 nM 571.62 Cc1cc(C[C@H](NS(=O)(=O)c2ccccc2C#N)c2nc3ccccc3[nH]2)ccc1[C@@H]1CC(=O)[N-]S1(=O)=O.[Na+] Homo sapiens CHEMBL870503 single protein format
CHEMBL208114 OBDepict O _ N S O O F HN H N N S H O O + Na IC50 = 18.0 nM 550.57 O=C1CC(c2ccc(C[C@H](NS(=O)(=O)c3ccccc3)c3nc4ccccc4[nH]3)cc2F)S(=O)(=O)[N-]1.[Na+] Homo sapiens CHEMBL870503 single protein format
CHEMBL4164960 OBDepict H 3 C O HN NH S O O O H 3 C NH O CH 3 O O O CH 3 CH 3 IC50 = 18.6 nM 509.58 CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(OCC)c(C(=O)OC)c1 Homo sapiens CHEMBL4146361 single protein format
CHEMBL441959 OBDepict HO O HO S O O O O IC50 = 26.0 nM 576.63 O=C(O)c1cc(S(=O)(=O)Oc2ccc(-c3ccc(-c4c(Cc5ccccc5)oc5ccccc45)cc3)cc2)ccc1O Homo sapiens CHEMBL768926 single protein format
CHEMBL607027 OBDepict O NH S O O H F HN H N N H N S IC50 = 27.0 nM 521.6 O=C1C[C@@H](c2ccc(C[C@H](Nc3nc4ccccc4s3)c3nc4ccccc4[nH]3)cc2F)S(=O)(=O)N1 Homo sapiens CHEMBL1071696 single protein format
CHEMBL261362 OBDepict F HN O N Br P F F O OH HO IC50 = 27.0 nM 475.16 O=C(Nc1cccc(F)c1)c1ccc2cc(Br)c(C(F)(F)P(=O)(O)O)cc2n1 Homo sapiens CHEMBL936456 single protein format
CHEMBL25368 OBDepict HO O HO S O O O S IC50 = 28.0 nM 592.69 O=C(O)c1ccc(S(=O)(=O)Oc2ccc(-c3ccc(-c4c(Cc5ccccc5)sc5ccccc45)cc3)cc2)cc1O Homo sapiens CHEMBL768926 single protein format
CHEMBL592291 OBDepict H 3 C O N OH S O O _ N O + K IC50 < 30.0 nM 346.41 COc1ccc2cc(O)c(N3CC(=O)[N-]S3(=O)=O)cc2c1.[K+] Homo sapiens CHEMBL1071696 single protein format
CHEMBL24566 OBDepict CH 3 S CH 3 O S O O HO O HO IC50 = 32.0 nM 570.69 Cc1sc(Cc2ccccc2)c(-c2ccc(-c3ccc(OS(=O)(=O)c4ccc(C(=O)O)c(O)c4)cc3)cc2)c1C Homo sapiens CHEMBL768926 single protein format
CHEMBL210836 OBDepict O _ N S O O H HN H N N S H O O + Na IC50 = 32.0 nM 532.58 O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3ccccc3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1.[Na+] Homo sapiens CHEMBL870503 single protein format
CHEMBL211655 OBDepict CH 3 NH O H N H O H N N H H S O O NH O IC50 = 35.0 nM 559.65 CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc([C@@H]2CC(=O)NS2(=O)=O)cc1)c1nc2ccccc2[nH]1 Homo sapiens CHEMBL870503 single protein format
CHEMBL248291 OBDepict O HN S O O H H 3 C HN H N N S H O O IC50 = 35.0 nM 524.62 Cc1cc(C[C@H](NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1[C@@H]1CC(=O)NS1(=O)=O Homo sapiens CHEMBL902512 single protein format
CHEMBL377989 OBDepict O _ N S O O H H 3 C HN H N N S H O O + Na IC50 = 35.0 nM 546.61 Cc1cc(C[C@H](NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1[C@@H]1CC(=O)[N-]S1(=O)=O.[Na+] Homo sapiens CHEMBL870503 single protein format
CHEMBL243942 OBDepict OH O O Br S O HO N H CH 3 CH 3 H 3 C CH 3 Ki = 36.0 nM 510.45 CC1(C)CC(Nc2cccc(-c3sc(C(=O)O)c(OCC(=O)O)c3Br)c2)CC(C)(C)C1 Homo sapiens CHEMBL896126 single protein format
CHEMBL267759 OBDepict F P F O OH HO N N N IC50 = 38.0 nM 595.59 O=P(O)(O)C(F)(F)c1ccc(CC(Cc2ccc(-c3ccccc3)cc2)(c2ccccc2)n2nnc3ccccc32)cc1 Homo sapiens CHEMBL768525 single protein format
CHEMBL23998 OBDepict HO O HO S O O O O IC50 = 39.0 nM 576.63 O=C(O)c1ccc(S(=O)(=O)Oc2ccc(-c3ccc(-c4c(Cc5ccccc5)oc5ccccc45)cc3)cc2)cc1O Homo sapiens CHEMBL768926 single protein format
CHEMBL424880 OBDepict F S HN O O N N H S O O N H O IC50 = 43.0 nM 528.59 O=C1CC(c2ccc(CC(NS(=O)(=O)c3cccc(F)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1 Homo sapiens CHEMBL870503 single protein format
CHEMBL253500 OBDepict O NH S O O N H N N S H O O F IC50 = 43.0 nM 596.71 O=C1CC(c2ccc(CC(NS(=O)(=O)c3cccc(F)c3)c3ncc(CCCc4ccccc4)[nH]3)cc2)S(=O)(=O)N1 Homo sapiens CHEMBL927697 single protein format
CHEMBL244148 OBDepict HO O O S Br O HO N H N S O O CH 3 Ki = 44.0 nM 533.42 CS(=O)(=O)N1CCC(Nc2cccc(-c3sc(C(=O)O)c(OCC(=O)O)c3Br)c2)CC1 Homo sapiens CHEMBL896126 single protein format
CHEMBL261108 OBDepict O N H N Br P F F O OH HO IC50 = 45.0 nM 471.19 O=C(NCc1ccccc1)c1ccc2cc(Br)c(C(F)(F)P(=O)(O)O)cc2n1 Homo sapiens CHEMBL936456 single protein format
CHEMBL212260 OBDepict N S N H O O N N H S O O NH O IC50 = 45.0 nM 535.61 N#Cc1ccccc1S(=O)(=O)NC(Cc1ccc(C2CC(=O)NS2(=O)=O)cc1)c1nc2ccccc2[nH]1 Homo sapiens CHEMBL870503 single protein format
CHEMBL9321 OBDepict F P F O OH OH N N N IC50 = 46.0 nM 547.54 O=P(O)(O)C(F)(F)c1ccc(CC(CCCc2ccccc2)(c2ccccc2)n2nnc3ccccc32)cc1 Homo sapiens CHEMBL768525 single protein format
CHEMBL377735 OBDepict H 3 C O S N H O O N N H S O O NH O IC50 = 48.0 nM 540.62 COc1cccc(S(=O)(=O)NC(Cc2ccc(C3CC(=O)NS3(=O)=O)cc2)c2nc3ccccc3[nH]2)c1 Homo sapiens CHEMBL870503 single protein format
CHEMBL416145 OBDepict F P F O OH OH N N N IC50 = 49.0 nM 545.53 O=P(O)(O)C(F)(F)c1ccc(CC(C/C=C/c2ccccc2)(c2ccccc2)n2nnc3ccccc32)cc1 Homo sapiens CHEMBL768525 single protein format
CHEMBL208604 OBDepict O _ N S O O H Cl HN H N N S H O O + Na IC50 = 50.0 nM 567.02 O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3ccccc3)c3nc4ccccc4[nH]3)cc2Cl)S(=O)(=O)[N-]1.[Na+] Homo sapiens CHEMBL870503 single protein format
CHEMBL206950 OBDepict Cl Cl S HN O O N N H S O O N H O IC50 = 51.0 nM 579.49 O=C1CC(c2ccc(CC(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1 Homo sapiens CHEMBL870503 single protein format
CHEMBL207489 OBDepict O NH S O O N H N N S H O O F F F IC50 = 51.0 nM 578.59 O=C1CC(c2ccc(CC(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1 Homo sapiens CHEMBL870503 single protein format
CHEMBL564124 OBDepict O NH O H S S H O HO IC50 = 51.63 nM 381.52 O=C(CCCC[C@@H]1CCSS1)Nc1ccc2c(c1)CO[C@H](C(=O)O)C2 Homo sapiens CHEMBL1053998 single protein format
CHEMBL284765 OBDepict CH 3 O O O OH S IC50 = 52.0 nM 570.71 CCOc1ccc(-c2cc(-c3ccc(-c4c(Cc5ccccc5)sc5ccccc45)cc3)ccc2OCC(=O)O)cc1 Homo sapiens CHEMBL768926 single protein format
CHEMBL1086230 OBDepict HO O O H O IC50 = 55.0 nM 592.74 O=C(O)[C@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)cc1C1CCCC1 Homo sapiens CHEMBL768926 single protein format
CHEMBL244360 OBDepict HO O O Br S O HO N H N S O O Ki = 55.0 nM 595.49 O=C(O)COc1c(C(=O)O)sc(-c2cccc(NC3CCN(S(=O)(=O)c4ccccc4)CC3)c2)c1Br Homo sapiens CHEMBL896126 single protein format
CHEMBL261418 OBDepict O N H N Br P F F O OH HO IC50 = 60.0 nM 457.17 O=C(Nc1ccccc1)c1ccc2cc(Br)c(C(F)(F)P(=O)(O)O)cc2n1 Homo sapiens CHEMBL936456 single protein format
CHEMBL212147 OBDepict Cl S HN O O N N H S O O N H O IC50 = 60.0 nM 545.04 O=C1CC(c2ccc(CC(NS(=O)(=O)c3cccc(Cl)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1 Homo sapiens CHEMBL870503 single protein format
CHEMBL383437 OBDepict N S N H O O N N H S O O NH O IC50 = 63.0 nM 535.61 N#Cc1ccc(S(=O)(=O)NC(Cc2ccc(C3CC(=O)NS3(=O)=O)cc2)c2nc3ccccc3[nH]2)cc1 Homo sapiens CHEMBL870503 single protein format
CHEMBL3747361 OBDepict O NH S O O H HN H N N S H O O F F IC50 = 64.0 nM 586.64 O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(F)c3)c3nc(Cc4ccccc4F)c[nH]3)cc2)S(=O)(=O)N1 Homo sapiens CHEMBL3748083 single protein format
CHEMBL428589 OBDepict O NH S O O N H N N H S O O F H F IC50 = 64.0 nM 588.66 O=C1CC(c2ccc(CC(NS(=O)(=O)c3cccc(F)c3)C3=NC[C@@H](Cc4ccccc4F)N3)cc2)S(=O)(=O)N1 Homo sapiens CHEMBL927697 single protein format
CHEMBL436933 OBDepict O NH S O O N H N N S H O O F F F IC50 = 67.0 nM 578.59 O=C1CC(c2ccc(CC(NS(=O)(=O)c3cccc(C(F)(F)F)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1 Homo sapiens CHEMBL870503 single protein format
CHEMBL4172149 OBDepict CH 3 O O O HN CH 3 HN O O O HN H 3 C CH 3 S O O CH 3 IC50 = 68.2 nM 523.61 CCCOc1ccc(NC(=O)NCc2cc(OCC)c(NS(C)(=O)=O)cc2OCC)cc1C(=O)OC Homo sapiens CHEMBL4146361 single protein format
CHEMBL590155 OBDepict CH 3 O O H NH O H 3 C CH 3 H S N CH 3 HN S O O HO IC50 = 70.0 nM 483.61 CCc1csc([C@H](Cc2ccc(NS(=O)(=O)O)cc2)NC(=O)[C@H](CC(C)C)C(=O)OC)n1 Homo sapiens CHEMBL1071696 single protein format
CHEMBL429385 OBDepict CH 3 O O H 3 C O O OH S IC50 = 71.0 nM 586.71 COc1cccc(-c2cc(-c3ccc(-c4c(Cc5ccccc5)sc5ccccc45)cc3)ccc2OCC(=O)O)c1OC Homo sapiens CHEMBL768926 single protein format
CHEMBL210324 OBDepict F F S HN O O N N H S O O N H O IC50 = 72.0 nM 546.58 O=C1CC(c2ccc(CC(NS(=O)(=O)c3cc(F)cc(F)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1 Homo sapiens CHEMBL870503 single protein format
CHEMBL1086229 OBDepict CH 3 O CH 3 H O OH O IC50 = 74.0 nM 552.67 Cc1cc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)cc(C)c1O[C@H](Cc1ccccc1)C(=O)O Homo sapiens CHEMBL768926 single protein format
CHEMBL276983 OBDepict HO O S O O O O IC50 = 75.0 nM 560.63 O=C(O)c1ccc(S(=O)(=O)Oc2ccc(-c3ccc(-c4c(Cc5ccccc5)oc5ccccc45)cc3)cc2)cc1 Homo sapiens CHEMBL768926 single protein format
CHEMBL377441 OBDepict Cl S HN O O H N N H CH 3 H S O O _ N O + Na IC50 = 76.0 nM 581.05 Cc1cc(C[C@H](NS(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3[nH]2)ccc1[C@@H]1CC(=O)[N-]S1(=O)=O.[Na+] Homo sapiens CHEMBL870503 single protein format
CHEMBL209107 OBDepict Br S HN O O N N H S O O N H O IC50 = 77.0 nM 589.49 O=C1CC(c2ccc(CC(NS(=O)(=O)c3cccc(Br)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1 Homo sapiens CHEMBL870503 single protein format
CHEMBL1083272 OBDepict CH 3 O S O H O HO IC50 = 77.0 nM 570.71 COc1ccc(Cc2sc3ccccc3c2-c2ccc(-c3ccc(O[C@H](Cc4ccccc4)C(=O)O)cc3)cc2)cc1 Homo sapiens CHEMBL768926 single protein format
CHEMBL210965 OBDepict O NH S O O N H N N S H O O Cl Cl IC50 = 79.0 nM 579.49 O=C1CC(c2ccc(CC(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1 Homo sapiens CHEMBL870503 single protein format
CHEMBL601290 OBDepict O NH N S O O OH N H IC50 = 80.0 nM 293.3 O=C1CN(c2cc(-c3ccc[nH]3)ccc2O)S(=O)(=O)N1 Homo sapiens CHEMBL1071696 single protein format
CHEMBL211033 OBDepict O NH S O O N H N N S H O O IC50 = 80.0 nM 586.7 O=C1CC(c2ccc(CC(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1 Homo sapiens CHEMBL870503 single protein format
CHEMBL208985 OBDepict CH 3 S N H O O N N H S O O NH O IC50 = 80.0 nM 524.62 Cc1ccc(S(=O)(=O)NC(Cc2ccc(C3CC(=O)NS3(=O)=O)cc2)c2nc3ccccc3[nH]2)cc1 Homo sapiens CHEMBL870503 single protein format
CHEMBL24843 OBDepict CH 3 O O O OH S IC50 = 80.0 nM 556.68 COc1ccc(-c2cc(-c3ccc(-c4c(Cc5ccccc5)sc5ccccc45)cc3)ccc2OCC(=O)O)cc1 Homo sapiens CHEMBL768926 single protein format
CHEMBL380164 OBDepict F S N H O O N N H S O O NH O IC50 = 80.0 nM 528.59 O=C1CC(c2ccc(CC(NS(=O)(=O)c3ccc(F)cc3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1 Homo sapiens CHEMBL870503 single protein format
CHEMBL562469 OBDepict O HN H S O H S O OH IC50 = 80.0 nM 381.52 O=C(CCCC[C@@H]1CCSS1)Nc1ccc2c(c1)C[C@@H](C(=O)O)OC2 Homo sapiens CHEMBL1053998 single protein format
CHEMBL1242362 OBDepict HO O O N S N IC50 = 82.0 nM 440.52 O=C(O)c1cccc2c1oc1ccc(-c3csc(-c4ccc(N5CCCC5)cc4)n3)cc12 Homo sapiens CHEMBL1248462 single protein format
CHEMBL284763 OBDepict OH O NH O O IC50 = 82.0 nM 553.66 O=C(O)CNc1cc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)ccc1OCCc1ccccc1 Homo sapiens CHEMBL768926 single protein format
CHEMBL211076 OBDepict CH 3 S N H O O N N H S O O NH O IC50 = 85.0 nM 524.62 Cc1cccc(S(=O)(=O)NC(Cc2ccc(C3CC(=O)NS3(=O)=O)cc2)c2nc3ccccc3[nH]2)c1 Homo sapiens CHEMBL870503 single protein format
CHEMBL9339 OBDepict Br N N N P F F O OH HO IC50 = 89.0 nM 598.38 O=P(O)(O)C(F)(F)c1ccc(CC(Cc2ccc(Br)cc2)(c2ccccc2)n2nnc3ccccc32)cc1 Homo sapiens CHEMBL768525 single protein format
CHEMBL259051 OBDepict N Br P F F O OH HO IC50 = 90.0 nM 376.09 N#CCc1ccc2cc(Br)c(C(F)(F)P(=O)(O)O)cc2c1 Homo sapiens CHEMBL936456 single protein format
CHEMBL211171 OBDepict CH 3 O S N H O O N N H S O O NH O IC50 = 94.0 nM 540.62 COc1ccc(S(=O)(=O)NC(Cc2ccc(C3CC(=O)NS3(=O)=O)cc2)c2nc3ccccc3[nH]2)cc1 Homo sapiens CHEMBL870503 single protein format
CHEMBL1084871 OBDepict HO O O H S IC50 = 95.0 nM 540.68 O=C(O)[C@@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3c(Cc4ccccc4)sc4ccccc34)cc2)cc1 Homo sapiens CHEMBL768926 single protein format
CHEMBL556914 OBDepict O HN O S S H O OH IC50 = 95.67 nM 381.52 O=C(CCCCC1CCSS1)Nc1ccc2c(c1)CO[C@H](C(=O)O)C2 Homo sapiens CHEMBL1053998 single protein format
CHEMBL369943 OBDepict O S N O P F F O OH HO N S N Ki = 98.0 nM 551.53 O=P(O)(O)C(F)(F)c1ccc(CN(Cc2ccc(-c3csnn3)cc2)S(=O)(=O)c2ccccc2)cc1 Homo sapiens CHEMBL885363 single protein format
CHEMBL284616 OBDepict O O H H HO HO H HO O OH HO OH IC50 = 100.0 nM 354.31 O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O Homo sapiens CHEMBL4813851 single protein format
CHEMBL24213 OBDepict HO O O S IC50 = 100.0 nM 526.66 O=C(O)COc1ccc(-c2ccc(-c3c(Cc4ccccc4)sc4ccccc34)cc2)cc1-c1ccccc1 Homo sapiens CHEMBL768926 single protein format
CHEMBL557393 OBDepict O NH S O H S O HO IC50 = 104.3 nM 381.52 O=C(CCCCC1CCSS1)Nc1ccc2c(c1)C[C@@H](C(=O)O)OC2 Homo sapiens CHEMBL1053998 single protein format
CHEMBL287278 OBDepict HO O S O O O O IC50 = 106.0 nM 560.63 O=C(O)c1cccc(S(=O)(=O)Oc2ccc(-c3ccc(-c4c(Cc5ccccc5)oc5ccccc45)cc3)cc2)c1 Homo sapiens CHEMBL768926 single protein format
CHEMBL377774 OBDepict Br S N H O O N N H S O O NH O IC50 = 110.0 nM 589.49 O=C1CC(c2ccc(CC(NS(=O)(=O)c3ccc(Br)cc3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1 Homo sapiens CHEMBL870503 single protein format
CHEMBL1083270 OBDepict HO O O H O HO IC50 = 110.0 nM 540.62 O=C(O)[C@@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3c(C(O)c4ccccc4)oc4ccccc34)cc2)cc1 Homo sapiens CHEMBL768926 single protein format
CHEMBL207492 OBDepict O NH S O O N H N N S H O O F F IC50 = 110.0 nM 546.58 O=C1CC(c2ccc(CC(NS(=O)(=O)c3ccc(F)c(F)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1 Homo sapiens CHEMBL870503 single protein format
CHEMBL1085070 OBDepict CH 3 S O H O OH IC50 = 110.0 nM 492.64 CCCCc1sc2ccccc2c1-c1ccc(-c2ccc(O[C@@H](C(=O)O)c3ccccc3)cc2)cc1 Homo sapiens CHEMBL768926 single protein format
CHEMBL437119 OBDepict F F S HN O O N N H S O O NH O IC50 = 110.0 nM 546.58 O=C1CC(c2ccc(CC(NS(=O)(=O)c3ccc(F)cc3F)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1 Homo sapiens CHEMBL870503 single protein format
CHEMBL210159 OBDepict Cl S N H O O N N H S O O NH O IC50 = 110.0 nM 545.04 O=C1CC(c2ccc(CC(NS(=O)(=O)c3ccc(Cl)cc3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1 Homo sapiens CHEMBL870503 single protein format
CHEMBL564439 OBDepict CH 3 O H O HO N H O H S S IC50 = 113.0 nM 397.56 CCO[C@@H](Cc1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1)C(=O)O Homo sapiens CHEMBL1053998 single protein format
CHEMBL551671 OBDepict O HN O H S H S O OH IC50 = 114.3 nM 395.55 O=C(CCCC[C@@H]1CCSCS1)Nc1ccc2c(c1)CO[C@H](C(=O)O)C2 Homo sapiens CHEMBL1053998 single protein format
CHEMBL243941 OBDepict OH O O Br S O OH N H Ki = 120.0 nM 468.37 O=C(O)COc1c(C(=O)O)sc(-c2cccc(NC3CCCCCC3)c2)c1Br Homo sapiens CHEMBL896126 single protein format
CHEMBL8758 OBDepict O Br P F F O HO OH IC50 = 120.0 nM 495.26 O=C(c1ccccc1)C(Cc1ccc(C(F)(F)P(=O)(O)O)c(Br)c1)c1ccccc1 Homo sapiens CHEMBL768521 single protein format
CHEMBL259628 OBDepict N Br P F F O OH HO IC50 = 120.0 nM 362.07 N#Cc1ccc2cc(Br)c(C(F)(F)P(=O)(O)O)cc2c1 Homo sapiens CHEMBL936456 single protein format
CHEMBL3350939 OBDepict HO O O H S OH HO IC50 = 120.0 nM 572.68 O=C(O)[C@@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3c(Cc4ccc(O)cc4O)sc4ccccc34)cc2)cc1 Homo sapiens CHEMBL768926 single protein format
CHEMBL1083271 OBDepict HO O O H S F IC50 = 120.0 nM 558.67 O=C(O)[C@@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3c(Cc4ccc(F)cc4)sc4ccccc34)cc2)cc1 Homo sapiens CHEMBL768926 single protein format
CHEMBL210837 OBDepict O HN S O O HN N N S H O O F IC50 = 120.0 nM 528.59 O=C1CC(c2ccc(CC(NS(=O)(=O)c3ccccc3F)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1 Homo sapiens CHEMBL870503 single protein format
CHEMBL1242553 OBDepict OH O O N S N IC50 = 121.0 nM 454.55 O=C(O)c1cccc2c1oc1ccc(-c3csc(-c4ccc(N5CCCCC5)cc4)n3)cc12 Homo sapiens CHEMBL1248462 single protein format
CHEMBL591978 OBDepict O NH N S O O N F IC50 = 130.0 nM 437.5 O=C1CN(Cc2ccc(-c3cccc(N4CCc5ccc(F)cc54)c3)cc2)S(=O)(=O)N1 Homo sapiens CHEMBL1071696 single protein format
CHEMBL209304 OBDepict O N H S O O N H N N S H O O F F F IC50 = 130.0 nM 578.59 O=C1CC(c2ccc(CC(NS(=O)(=O)c3ccccc3C(F)(F)F)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1 Homo sapiens CHEMBL870503 single protein format
CHEMBL3350947 OBDepict F O O H O OH IC50 = 130.0 nM 542.61 O=C(O)[C@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ccc(F)cc34)cc2)cc1 Homo sapiens CHEMBL768926 single protein format
CHEMBL403577 OBDepict O NH S O O N H N N H S O O F H IC50 = 130.0 nM 584.7 O=C1CC(c2ccc(CC(NS(=O)(=O)c3cccc(F)c3)C3=NC[C@@H](CCc4ccccc4)N3)cc2)S(=O)(=O)N1 Homo sapiens CHEMBL927697 single protein format
CHEMBL556636 OBDepict O NH O S S H CH 3 H 3 C O HO IC50 = 135.7 nM 409.57 CC1(C)SCC(CCCCC(=O)Nc2ccc3c(c2)CO[C@H](C(=O)O)C3)S1 Homo sapiens CHEMBL1053998 single protein format
CHEMBL215335 OBDepict OH O O Br S O OH HN O O OH Ki = 140.0 nM 458.24 O=C(O)COc1c(C(=O)O)sc(-c2ccc(NC(=O)CC(=O)O)cc2)c1Br Homo sapiens CHEMBL854221 single protein format