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P00338 | LDHA_HUMAN | L-lactate dehydrogenase A chain (LDHA)

3D structures mapped by conservation among orthologs

[ Domain: "NAD(P)-binding Rossmann-fold domains" // Ldh_1_N ]

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[ Domain: "LDH C-terminal domain-like" // Ldh_1_C_13 ]

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[ Domain: pdbs with more than 2 multi-domains ]

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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
CHEMBL4786682 OBDepict OH F N N S N F O OH S O O NH 2 IC50 = 3.0 nM 598.65 NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(C#CCCO)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F Homo sapiens CHEMBL4670705 single protein format
CHEMBL4576717 OBDepict F NH N H HO O S S Cl IC50 = 3.0 nM 523.05 O=C1NC(c2ccsc2)(c2cccc(Nc3ccc(F)cc3)c2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431228 single protein format
CHEMBL4435570 OBDepict HO S N H O S Cl NH IC50 = 4.0 nM 511.11 O=C1NC(c2ccsc2)(c2cccc(NC3CCCCC3)c2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431228 single protein format
CHEMBL3335792 OBDepict O S HN O S Cl N O IC50 = 5.0 nM 499.06 O=C1CC(c2ccc(N3CCOCC3)cc2)(c2ccsc2)NC(=O)C1Sc1ccccc1Cl Homo sapiens CHEMBL3386528 single protein format
CHEMBL4467769 OBDepict CH 3 N O N N H HO O S S Cl IC50 = 5.0 nM 540.11 CC(=O)N1CCN(c2ccc(C3(c4ccsc4)CC(O)=C(Sc4ccccc4Cl)C(=O)N3)cc2)CC1 Homo sapiens CHEMBL4431228 single protein format
CHEMBL3581197 OBDepict O O H 3 C H S Cl OH O Cl Cl IC50 = 6.0 nM 561.91 C[C@@H](OC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(c3c(Cl)cccc3Cl)CC2=O)c1)c1ccccc1 Homo sapiens CHEMBL3583864 single protein format
CHEMBL4444963 OBDepict HO S NH O S Cl N IC50 = 7.0 nM 483.06 O=C1NC(c2ccc(N3CCCC3)cc2)(c2ccsc2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431228 single protein format
CHEMBL4783945 OBDepict H 3 C O F N N S N F O OH S O O NH 2 IC50 = 8.0 nM 598.65 COCC#Cc1cc(-c2nn(-c3nc(C(=O)O)cs3)c(CC3CC3)c2Cc2ccc(S(N)(=O)=O)c(F)c2)ccc1F Homo sapiens CHEMBL4670705 single protein format
CHEMBL4876783 OBDepict OH O N S N N O F F S O O NH 2 IC50 = 8.0 nM 586.64 NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(OC4CC4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F Homo sapiens CHEMBL4817965 single protein format
CHEMBL4847105 OBDepict CH 3 O F N N S N O OH S O O NH 2 IC50 = 8.0 nM 542.61 COc1cc(-c2nn(-c3nc(C(=O)O)cs3)c(CC3CC3)c2Cc2ccc(S(N)(=O)=O)cc2)ccc1F Homo sapiens CHEMBL4817965 single protein format
CHEMBL4520899 OBDepict HO S N H O S Cl N IC50 = 9.0 nM 497.09 O=C1NC(c2ccc(N3CCCCC3)cc2)(c2ccsc2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431228 single protein format
CHEMBL4783252 OBDepict CH 3 N N S N F O OH S O O H 2 N IC50 = 9.0 nM 550.64 CC#Cc1cccc(-c2nn(-c3nc(C(=O)O)cs3)c(CC3CC3)c2Cc2ccc(S(N)(=O)=O)c(F)c2)c1 Homo sapiens CHEMBL4670705 single protein format
CHEMBL4436150 OBDepict HO S N H O S Cl N O IC50 = 9.0 nM 499.06 O=C1NC(c2ccc(N3CCOCC3)cc2)(c2ccsc2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431228 single protein format
CHEMBL4545064 OBDepict HO S N H O S Cl NH O IC50 = 9.0 nM 513.08 O=C1NC(c2ccsc2)(c2cccc(NC3CCOCC3)c2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431228 single protein format
CHEMBL4059985 OBDepict HO O N S N N S O O NH 2 IC50 = 9.0 nM 494.6 NS(=O)(=O)c1ccc(Cc2c(-c3ccccc3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1 Homo sapiens CHEMBL4032329 assay format
CHEMBL4760911 OBDepict CH F N N S N F O OH S O O NH 2 IC50 = 9.0 nM 554.6 C#Cc1cc(-c2nn(-c3nc(C(=O)O)cs3)c(CC3CC3)c2Cc2ccc(S(N)(=O)=O)c(F)c2)ccc1F Homo sapiens CHEMBL4670705 single protein format
CHEMBL4777867 OBDepict OH O N S N N F F S O O NH 2 IC50 = 9.0 nM 594.67 NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(C#CC4CC4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F Homo sapiens CHEMBL4670705 single protein format
CHEMBL4475593 OBDepict N N N H OH O S S Cl IC50 = 10.0 nM 522.1 N#CC1CCN(c2ccc(C3(c4ccsc4)CC(O)=C(Sc4ccccc4Cl)C(=O)N3)cc2)CC1 Homo sapiens CHEMBL4431228 single protein format
CHEMBL4752751 OBDepict H 3 C F N N S N F O HO S O O NH 2 IC50 = 11.0 nM 570.64 C/C=C/c1cc(-c2nn(-c3nc(C(=O)O)cs3)c(CC3CC3)c2Cc2ccc(S(N)(=O)=O)c(F)c2)ccc1F Homo sapiens CHEMBL4670705 single protein format
CHEMBL4787940 OBDepict CH 3 F N N S N F O OH S O O NH 2 IC50 = 11.0 nM 568.63 CC#Cc1cc(-c2nn(-c3nc(C(=O)O)cs3)c(CC3CC3)c2Cc2ccc(S(N)(=O)=O)c(F)c2)ccc1F Homo sapiens CHEMBL4670705 single protein format
CHEMBL4536094 OBDepict HO S N H O S Cl N S O O IC50 = 13.0 nM 547.12 O=C1NC(c2ccc(N3CCS(=O)(=O)CC3)cc2)(c2ccsc2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431228 single protein format
CHEMBL4853535 OBDepict OH O N S N N O F S O O NH 2 IC50 = 13.0 nM 596.71 NS(=O)(=O)c1ccc(Cc2c(-c3cccc(OC4CCCC4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F Homo sapiens CHEMBL4817965 single protein format
CHEMBL4521960 OBDepict OH NH OH O S S Cl IC50 = 14.0 nM 429.95 O=C1NC(c2ccc(O)cc2)(c2ccsc2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431228 single protein format
CHEMBL4762989 OBDepict CH 3 F N N S N F O OH S O O NH 2 IC50 = 14.0 nM 582.65 CCC#Cc1cc(-c2nn(-c3nc(C(=O)O)cs3)c(CC3CC3)c2Cc2ccc(S(N)(=O)=O)c(F)c2)ccc1F Homo sapiens CHEMBL4670705 single protein format
CHEMBL4453059 OBDepict CH 3 N CH 3 HN OH O S S Cl IC50 = 15.0 nM 457.02 CN(C)c1ccc(C2(c3ccsc3)CC(O)=C(Sc3ccccc3Cl)C(=O)N2)cc1 Homo sapiens CHEMBL4431228 single protein format
CHEMBL3581201 OBDepict N S OH OH O Cl Cl O CH 3 CH 3 IC50 = 15.0 nM 464.37 CC(C)Oc1ccc(Cl)c(C2CC(=O)C(Sc3cc(O)ccc3C#N)=C(O)C2)c1Cl Homo sapiens CHEMBL3583864 single protein format
CHEMBL4543949 OBDepict HO S NH O S Cl N O CH 3 CH 3 IC50 = 15.0 nM 527.11 CC1(C)CN(c2ccc(C3(c4ccsc4)CC(O)=C(Sc4ccccc4Cl)C(=O)N3)cc2)CCO1 Homo sapiens CHEMBL4431228 single protein format
CHEMBL4746658 OBDepict N F N N S N F O OH S O O NH 2 IC50 = 15.0 nM 579.61 N#CC#Cc1cc(-c2nn(-c3nc(C(=O)O)cs3)c(CC3CC3)c2Cc2ccc(S(N)(=O)=O)c(F)c2)ccc1F Homo sapiens CHEMBL4670705 single protein format
CHEMBL4754755 OBDepict OH O N S N N F F S O O NH 2 IC50 = 15.0 nM 596.68 NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(/C=C/C4CC4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F Homo sapiens CHEMBL4670705 single protein format
CHEMBL4450897 OBDepict CH 3 O N N H OH O S S Cl IC50 = 16.0 nM 527.11 COC1CCN(c2ccc(C3(c4ccsc4)CC(O)=C(Sc4ccccc4Cl)C(=O)N3)cc2)CC1 Homo sapiens CHEMBL4431228 single protein format
CHEMBL3765327 OBDepict CH 3 O N N O CH 3 N HN S NH O O O HO IC50 = 16.0 nM 589.67 COc1ncc(-c2ccc3c(Nc4cc(C(=O)O)cc(C5CCCC5)c4)c(S(=O)(=O)NC4CC4)cnc3c2)c(OC)n1 Homo sapiens CHEMBL3768756 single protein format
CHEMBL4872528 OBDepict OH O N S N N O S O O NH 2 IC50 = 17.0 nM 532.6 NS(=O)(=O)c1ccc(Cc2cn(-c3nc(C(=O)O)cs3)nc2-c2cccc(Oc3ccccc3)c2)cc1 Homo sapiens CHEMBL4817965 single protein format
CHEMBL4557701 OBDepict HO S N H O S Cl N O IC50 = 17.0 nM 539.12 O=C1NC(c2ccc(N3CCC4(CC3)COC4)cc2)(c2ccsc2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431228 single protein format
CHEMBL4090677 OBDepict HO O N S N N S O O NH 2 IC50 = 19.0 nM 480.57 NS(=O)(=O)c1ccc(Cc2c(-c3ccccc3)nn(-c3nc(C(=O)O)cs3)c2C2CC2)cc1 Homo sapiens CHEMBL4032329 assay format
CHEMBL4543194 OBDepict HO S N H O S Cl N O O IC50 = 21.0 nM 513.04 O=C1NC(c2ccc(N3CCOCC3=O)cc2)(c2ccsc2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431228 single protein format
CHEMBL4874506 OBDepict CH 3 O O N N S N O OH S O O H 2 N IC50 = 21.0 nM 576.66 COc1cccc(COc2cccc(-c3nn(-c4nc(C(=O)O)cs4)cc3Cc3ccc(S(N)(=O)=O)cc3)c2)c1 Homo sapiens CHEMBL4817965 single protein format
CHEMBL4761628 OBDepict CH 3 CH 3 F N N S N F O OH S O O NH 2 IC50 = 21.0 nM 596.68 CC(C)C#Cc1cc(-c2nn(-c3nc(C(=O)O)cs3)c(CC3CC3)c2Cc2ccc(S(N)(=O)=O)c(F)c2)ccc1F Homo sapiens CHEMBL4670705 single protein format
CHEMBL4786033 OBDepict F N N S N O OH S O O NH 2 IC50 = 23.0 nM 588.69 NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(-c4ccccc4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1 Homo sapiens CHEMBL4670705 single protein format
CHEMBL4857168 OBDepict OH O N S N N O S O O NH 2 N IC50 = 23.0 nM 547.62 NS(=O)(=O)c1ccc(Cc2cn(-c3nc(C(=O)O)cs3)nc2-c2cccc(OCc3ccccn3)c2)cc1 Homo sapiens CHEMBL4817965 single protein format
CHEMBL4752866 OBDepict H 3 C F N N S N F O OH S O O NH 2 IC50 = 24.0 nM 596.68 CCCC#Cc1cc(-c2nn(-c3nc(C(=O)O)cs3)c(CC3CC3)c2Cc2ccc(S(N)(=O)=O)c(F)c2)ccc1F Homo sapiens CHEMBL4670705 single protein format
CHEMBL3581200 OBDepict H 3 C O S Cl HO O Cl Cl O CH 3 CH 3 IC50 = 25.0 nM 487.83 COc1ccc(Cl)c(SC2=C(O)CC(c3c(Cl)ccc(OC(C)C)c3Cl)CC2=O)c1 Homo sapiens CHEMBL3583864 single protein format
CHEMBL4758227 OBDepict OH O N S N N F S O O NH 2 IC50 = 25.0 nM 588.69 NS(=O)(=O)c1ccc(Cc2c(-c3cccc(-c4ccccc4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F Homo sapiens CHEMBL4670705 single protein format
CHEMBL4583899 OBDepict HO S N H O S Cl IC50 = 25.0 nM 496.1 O=C1NC(c2ccc(C3CCCCC3)cc2)(c2ccsc2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431228 single protein format
CHEMBL4854797 OBDepict F O N N S N O OH S O O NH 2 IC50 = 26.0 nM 564.62 NS(=O)(=O)c1ccc(Cc2cn(-c3nc(C(=O)O)cs3)nc2-c2cccc(OCc3cccc(F)c3)c2)cc1 Homo sapiens CHEMBL4817965 single protein format
CHEMBL4534918 OBDepict CH 3 O N H 3 C N H HO O S S Cl IC50 = 27.0 nM 527.11 CC1CN(c2ccc(C3(c4ccsc4)CC(O)=C(Sc4ccccc4Cl)C(=O)N3)cc2)CC(C)O1 Homo sapiens CHEMBL4431228 single protein format
CHEMBL4100845 OBDepict OH O N S N N S O O NH 2 IC50 = 27.0 nM 556.67 NS(=O)(=O)c1ccc(Cc2c(-c3cccc(-c4ccccc4)c3)nn(-c3nc(C(=O)O)cs3)c2C2CC2)cc1 Homo sapiens CHEMBL4032329 assay format
CHEMBL4847591 OBDepict OH O N S N N N F S O O O NH 2 IC50 = 27.0 nM 597.69 NS(=O)(=O)c1ccc(Cc2c(-c3cccc(N4CCOCC4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1F Homo sapiens CHEMBL4817965 single protein format
CHEMBL4857703 OBDepict OH O N S N N O S O O NH 2 IC50 = 29.0 nM 538.65 NS(=O)(=O)c1ccc(Cc2cn(-c3nc(C(=O)O)cs3)nc2-c2cccc(OCC3CCCC3)c2)cc1 Homo sapiens CHEMBL4817965 single protein format
CHEMBL3763437 OBDepict CH 3 CH 3 O OH HO HO CH 3 H 3 C Ki = 30.0 nM 350.41 Cc1ccc(-c2cc3c(C(=O)O)c(O)c(O)c(C(C)C)c3cc2C)cc1 Homo sapiens CHEMBL3768756 single protein format
CHEMBL3581199 OBDepict CH 3 O CH 3 Cl Cl OH O S Cl OH IC50 = 30.0 nM 473.81 CC(C)Oc1ccc(Cl)c(C2CC(=O)C(Sc3cc(O)ccc3Cl)=C(O)C2)c1Cl Homo sapiens CHEMBL3583864 single protein format
CHEMBL3359440 OBDepict OH S O O Cl IC50 = 30.0 nM 434.94 O=C1OC2(CCc3c(-c4ccccc4)cccc32)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL3378383 single protein format
CHEMBL3581204 OBDepict H 3 C O O S Cl HO O Cl Cl IC50 = 30.0 nM 561.91 CCOC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(c3c(Cl)ccc(-c4ccccc4)c3Cl)CC2=O)c1 Homo sapiens CHEMBL3583864 single protein format
CHEMBL3581205 OBDepict H 3 C O S Cl HO O Cl Cl N H O IC50 = 30.0 nM 528.89 COc1ccc(Cl)c(SC2=C(O)CC(c3c(Cl)ccc(NC4CCOCC4)c3Cl)CC2=O)c1 Homo sapiens CHEMBL3583864 single protein format
CHEMBL4081890 OBDepict OH O N S N N S O O NH 2 IC50 = 32.0 nM 570.7 NS(=O)(=O)c1ccc(Cc2c(-c3cccc(-c4ccccc4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1 Homo sapiens CHEMBL4032329 assay format
CHEMBL3581203 OBDepict H 3 C O S Cl HO O Cl Cl N IC50 = 35.0 nM 506.84 COc1ccc(Cl)c(SC2=C(O)CC(c3c(Cl)ccc(-c4ccncc4)c3Cl)CC2=O)c1 Homo sapiens CHEMBL3583864 single protein format
CHEMBL4761804 OBDepict OH O N S N N S O O NH 2 IC50 = 36.0 nM 584.72 NS(=O)(=O)c1ccc(Cc2c(-c3cccc(-c4ccccc4)c3)nn(-c3nc(C(=O)O)cs3)c2CCC2CC2)cc1 Homo sapiens CHEMBL4670705 single protein format
CHEMBL4755095 OBDepict OH O N S N N F F S O O NH 2 IC50 = 36.0 nM 592.65 NS(=O)(=O)c1ccc(Cc2c(-c3cccc(-c4ccccc4)c3)nn(-c3nc(C(=O)O)cs3)c2C2CC2(F)F)cc1 Homo sapiens CHEMBL4670705 single protein format
CHEMBL4555982 OBDepict F O N H HO O S S Cl IC50 = 37.0 nM 524.04 O=C1NC(c2ccsc2)(c2cccc(Oc3ccc(F)cc3)c2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431228 single protein format
CHEMBL4080497 OBDepict OH O N S N N S O O NH 2 IC50 = 38.0 nM 516.6 NS(=O)(=O)c1ccc(Cc2cn(-c3nc(C(=O)O)cs3)nc2-c2cccc(-c3ccccc3)c2)cc1 Homo sapiens CHEMBL4032329 assay format
CHEMBL4863968 OBDepict CH 3 O N N S N O OH S O O H 2 N IC50 = 39.0 nM 560.66 Cc1ccc(COc2cccc(-c3nn(-c4nc(C(=O)O)cs4)cc3Cc3ccc(S(N)(=O)=O)cc3)c2)cc1 Homo sapiens CHEMBL4817965 single protein format
CHEMBL3581194 OBDepict H 3 C O O S Cl HO O Cl Cl IC50 = 40.0 nM 471.79 COC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(c3c(Cl)cccc3Cl)CC2=O)c1 Homo sapiens CHEMBL3583864 single protein format
CHEMBL4069726 OBDepict OH O N S N N H 3 C S O O NH 2 IC50 = 42.0 nM 454.53 Cc1c(Cc2ccc(S(N)(=O)=O)cc2)c(-c2ccccc2)nn1-c1nc(C(=O)O)cs1 Homo sapiens CHEMBL4032330 assay format
CHEMBL4444202 OBDepict HO HN OH O S S Cl IC50 = 42.0 nM 429.95 O=C1NC(c2ccsc2)(c2cccc(O)c2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431228 single protein format
CHEMBL4468333 OBDepict HO S N H O S Cl N N O IC50 = 47.0 nM 554.14 O=C1NC(c2ccc(N3CCN(C4COC4)CC3)cc2)(c2ccsc2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431228 single protein format
CHEMBL4575930 OBDepict HO S N H O S Cl N HN IC50 = 52.0 nM 498.07 O=C1NC(c2ccc(N3CCNCC3)cc2)(c2ccsc2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431228 single protein format
CHEMBL4101800 OBDepict OH O N S N N F F F S O O NH 2 IC50 = 53.0 nM 584.6 NS(=O)(=O)c1ccc(Cc2c(-c3cccc(-c4ccccc4)c3)nn(-c3nc(C(=O)O)cs3)c2C(F)(F)F)cc1 Homo sapiens CHEMBL4032329 assay format
CHEMBL4589484 OBDepict HO S N H O S Cl N O IC50 = 55.0 nM 499.06 O=C1N[C@@](c2ccc(N3CCOCC3)cc2)(c2ccsc2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431228 single protein format
CHEMBL4076027 OBDepict OH O N S N N N H S O O NH 2 IC50 = 57.0 nM 517.59 NS(=O)(=O)c1ccc(Nc2cn(-c3nc(C(=O)O)cs3)nc2-c2cccc(-c3ccccc3)c2)cc1 Homo sapiens CHEMBL4032329 assay format
CHEMBL4578904 OBDepict NH 2 HN OH O S S Cl IC50 = 58.0 nM 428.97 Nc1cccc(C2(c3ccsc3)CC(O)=C(Sc3ccccc3Cl)C(=O)N2)c1 Homo sapiens CHEMBL4431228 single protein format
CHEMBL3581182 OBDepict OH S O Cl Cl Cl Cl IC50 = 60.0 nM 510.27 O=C1CC(c2c(Cl)ccc(-c3ccccc3Cl)c2Cl)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL3583864 single protein format
CHEMBL3581179 OBDepict OH S O Cl Cl Cl N H O IC50 = 60.0 nM 498.86 O=C1CC(c2c(Cl)ccc(NC3CCOCC3)c2Cl)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL3583864 single protein format
CHEMBL3764412 OBDepict CH 3 O N N O CH 3 N NH O NH 2 O HO CH 3 CH 3 CH 3 IC50 = 63.1 nM 515.57 COc1ncc(-c2ccc3c(Nc4cc(C(=O)O)cc(C(C)C(C)C)c4)c(C(N)=O)cnc3c2)c(OC)n1 Homo sapiens CHEMBL3768756 single protein format
CHEMBL4062709 OBDepict HO O N S N N O S O O NH 2 IC50 = 65.0 nM 482.54 NS(=O)(=O)c1ccc(Oc2c(-c3ccccc3)nn(-c3nc(C(=O)O)cs3)c2C2CC2)cc1 Homo sapiens CHEMBL4032330 assay format
CHEMBL4437061 OBDepict H 3 C O NH OH O S S Cl IC50 = 65.0 nM 443.98 COc1ccc(C2(c3ccsc3)CC(O)=C(Sc3ccccc3Cl)C(=O)N2)cc1 Homo sapiens CHEMBL4431228 single protein format
CHEMBL4075666 OBDepict OH O N S N N H 2 N S O O NH 2 IC50 = 65.0 nM 531.62 Nc1c(Cc2ccc(S(N)(=O)=O)cc2)c(-c2cccc(-c3ccccc3)c2)nn1-c1nc(C(=O)O)cs1 Homo sapiens CHEMBL4032329 assay format
CHEMBL4574842 OBDepict HO S N H O S Cl O O IC50 = 69.0 nM 514.07 O=C1NC(c2ccsc2)(c2cccc(OC3CCOCC3)c2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431228 single protein format
CHEMBL4846757 OBDepict OH O N S N N O S O O NH 2 N IC50 = 77.0 nM 547.62 NS(=O)(=O)c1ccc(Cc2cn(-c3nc(C(=O)O)cs3)nc2-c2cccc(OCc3cccnc3)c2)cc1 Homo sapiens CHEMBL4817965 single protein format
CHEMBL4474069 OBDepict HO S NH O S Cl N O IC50 = 80.0 nM 499.06 O=C1NC(c2ccsc2)(c2cccc(N3CCOCC3)c2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431228 single protein format
CHEMBL4591832 OBDepict Br HN OH O S S Cl IC50 = 82.0 nM 492.85 O=C1NC(c2ccsc2)(c2cccc(Br)c2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431228 single protein format
CHEMBL4069450 OBDepict F F N N OH S N O OH IC50 = 84.0 nM 323.28 O=C(O)c1csc(-n2nc(-c3ccc(F)cc3F)cc2O)n1 Homo sapiens CHEMBL4032329 assay format
CHEMBL3581184 OBDepict OH S O Cl Cl Cl N IC50 = 85.0 nM 476.81 O=C1CC(c2c(Cl)ccc(-c3ccncc3)c2Cl)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL3583864 single protein format
CHEMBL4856298 OBDepict CH 3 O N N S N O OH S O O H 2 N IC50 = 90.0 nM 470.53 COc1cccc(-c2nn(-c3nc(C(=O)O)cs3)cc2Cc2ccc(S(N)(=O)=O)cc2)c1 Homo sapiens CHEMBL4817965 single protein format
CHEMBL3581180 OBDepict H 3 C O CH 3 Cl Cl HO O S Cl IC50 = 90.0 nM 457.81 CC(C)Oc1ccc(Cl)c(C2CC(=O)C(Sc3ccccc3Cl)=C(O)C2)c1Cl Homo sapiens CHEMBL3583864 single protein format
CHEMBL3581198 OBDepict O O H 3 C H S Cl OH O Cl Cl IC50 = 90.0 nM 561.91 C[C@H](OC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(c3c(Cl)cccc3Cl)CC2=O)c1)c1ccccc1 Homo sapiens CHEMBL3583864 single protein format
CHEMBL4076958 OBDepict OH O N S N N N H S O O NH 2 IC50 = 91.0 nM 441.49 NS(=O)(=O)c1ccc(Nc2cn(-c3nc(C(=O)O)cs3)nc2-c2ccccc2)cc1 Homo sapiens CHEMBL4032329 assay format
CHEMBL4076264 OBDepict F N N HO S N O HO IC50 = 95.0 nM 305.29 O=C(O)c1csc(-n2nc(-c3ccc(F)cc3)cc2O)n1 Homo sapiens CHEMBL4032329 assay format
CHEMBL4069796 OBDepict OH O N S N N F F S O O NH 2 IC50 = 95.0 nM 476.49 NS(=O)(=O)c1ccc(Cc2cn(-c3nc(C(=O)O)cs3)nc2-c2ccc(F)c(F)c2)cc1 Homo sapiens CHEMBL4032329 assay format
CHEMBL4103659 OBDepict F N N HO S N O OH IC50 = 95.0 nM 381.39 O=C(O)c1csc(-n2nc(-c3cccc(-c4ccccc4F)c3)cc2O)n1 Homo sapiens CHEMBL4032329 assay format
CHEMBL338325 OBDepict H 3 C HO HO CH 3 O HO CH 3 Ki = 100.0 nM 274.32 CCCc1c(O)c(O)c(C(=O)O)c2cc(C)c(C)cc12 Homo sapiens CHEMBL706376 single protein format
CHEMBL3581181 OBDepict OH S O Cl Cl Cl IC50 = 100.0 nM 475.82 O=C1CC(c2c(Cl)ccc(-c3ccccc3)c2Cl)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL3583864 single protein format
CHEMBL3581177 OBDepict CH 3 N O N Cl Cl OH O S Cl IC50 = 100.0 nM 525.89 CC(=O)N1CCN(c2ccc(Cl)c(C3CC(=O)C(Sc4ccccc4Cl)=C(O)C3)c2Cl)CC1 Homo sapiens CHEMBL3583864 single protein format
CHEMBL4445937 OBDepict OH S HN O S Cl IC50 = 100.0 nM 454.02 O=C1NC(c2ccc(C3CC3)cc2)(c2ccsc2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431228 single protein format
CHEMBL4096677 OBDepict OH O N S N N OH Cl Cl IC50 = 106.0 nM 356.19 O=C(O)c1csc(-n2nc(-c3ccc(Cl)c(Cl)c3)cc2O)n1 Homo sapiens CHEMBL4032329 assay format
CHEMBL3581183 OBDepict OH S O Cl Cl Cl N IC50 = 108.0 nM 476.81 O=C1CC(c2c(Cl)ccc(-c3cccnc3)c2Cl)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL3583864 single protein format
CHEMBL4082867 OBDepict OH O N S N N O S O O NH 2 IC50 = 110.0 nM 558.64 NS(=O)(=O)c1ccc(Oc2c(-c3cccc(-c4ccccc4)c3)nn(-c3nc(C(=O)O)cs3)c2C2CC2)cc1 Homo sapiens CHEMBL4032329 assay format
CHEMBL4095904 OBDepict F F N N OH S N O OH IC50 = 110.0 nM 323.28 O=C(O)c1csc(-n2nc(-c3cc(F)cc(F)c3)cc2O)n1 Homo sapiens CHEMBL4032329 assay format
CHEMBL4067976 OBDepict N N N S N O OH S O O NH 2 IC50 = 115.0 nM 465.52 N#Cc1c(Cc2ccc(S(N)(=O)=O)cc2)c(-c2ccccc2)nn1-c1nc(C(=O)O)cs1 Homo sapiens CHEMBL4032330 assay format
CHEMBL3581186 OBDepict OH S Cl OH O Cl Cl IC50 = 120.0 nM 415.73 O=C1CC(c2c(Cl)cccc2Cl)CC(O)=C1Sc1cc(O)ccc1Cl Homo sapiens CHEMBL3583864 single protein format
CHEMBL4530052 OBDepict OH S N H O S Cl IC50 = 120.0 nM 413.95 O=C1NC(c2ccccc2)(c2ccsc2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431228 single protein format
CHEMBL3581196 OBDepict CH 3 O CH 3 O S Cl HO O Cl Cl IC50 = 120.0 nM 499.84 CC(C)OC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(c3c(Cl)cccc3Cl)CC2=O)c1 Homo sapiens CHEMBL3583864 single protein format