HOME LIGAND hPROTEOME OTHERS DOCUMENT

P07195 | LDHB_HUMAN | L-lactate dehydrogenase B chain (LDHB)

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
CHEMBL4059985 OBDepict HO O N S N N S O O NH 2 IC50 = 8.0 nM 494.6 NS(=O)(=O)c1ccc(Cc2c(-c3ccccc3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1 Homo sapiens CHEMBL4032332 assay format
CHEMBL4100845 OBDepict OH O N S N N S O O NH 2 IC50 = 20.0 nM 556.67 NS(=O)(=O)c1ccc(Cc2c(-c3cccc(-c4ccccc4)c3)nn(-c3nc(C(=O)O)cs3)c2C2CC2)cc1 Homo sapiens CHEMBL4032332 assay format
CHEMBL4090677 OBDepict HO O N S N N S O O NH 2 IC50 = 20.0 nM 480.57 NS(=O)(=O)c1ccc(Cc2c(-c3ccccc3)nn(-c3nc(C(=O)O)cs3)c2C2CC2)cc1 Homo sapiens CHEMBL4032332 assay format
CHEMBL4081890 OBDepict OH O N S N N S O O NH 2 IC50 = 27.0 nM 570.7 NS(=O)(=O)c1ccc(Cc2c(-c3cccc(-c4ccccc4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1 Homo sapiens CHEMBL4032332 assay format
CHEMBL4436150 OBDepict HO S N H O S Cl N O IC50 = 30.0 nM 499.06 O=C1NC(c2ccc(N3CCOCC3)cc2)(c2ccsc2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431229 single protein format
CHEMBL4576717 OBDepict F NH N H HO O S S Cl IC50 = 35.0 nM 523.05 O=C1NC(c2ccsc2)(c2cccc(Nc3ccc(F)cc3)c2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431229 single protein format
CHEMBL4467769 OBDepict CH 3 N O N N H HO O S S Cl IC50 = 35.0 nM 540.11 CC(=O)N1CCN(c2ccc(C3(c4ccsc4)CC(O)=C(Sc4ccccc4Cl)C(=O)N3)cc2)CC1 Homo sapiens CHEMBL4431229 single protein format
CHEMBL4536094 OBDepict HO S N H O S Cl N S O O IC50 = 46.0 nM 547.12 O=C1NC(c2ccc(N3CCS(=O)(=O)CC3)cc2)(c2ccsc2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431229 single protein format
CHEMBL4520899 OBDepict HO S N H O S Cl N IC50 = 49.0 nM 497.09 O=C1NC(c2ccc(N3CCCCC3)cc2)(c2ccsc2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431229 single protein format
CHEMBL4080497 OBDepict OH O N S N N S O O NH 2 IC50 = 49.0 nM 516.6 NS(=O)(=O)c1ccc(Cc2cn(-c3nc(C(=O)O)cs3)nc2-c2cccc(-c3ccccc3)c2)cc1 Homo sapiens CHEMBL4032332 assay format
CHEMBL126519 OBDepict CH 3 OH OH CH 3 O OH Ki = 50.0 nM 350.41 CCCc1c(O)c(O)c(C(=O)O)c2cc(Cc3ccccc3)c(C)cc12 Homo sapiens CHEMBL706380 single protein format
CHEMBL4444963 OBDepict HO S NH O S Cl N IC50 = 50.0 nM 483.06 O=C1NC(c2ccc(N3CCCC3)cc2)(c2ccsc2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431229 single protein format
CHEMBL4453059 OBDepict CH 3 N CH 3 HN OH O S S Cl IC50 = 55.0 nM 457.02 CN(C)c1ccc(C2(c3ccsc3)CC(O)=C(Sc3ccccc3Cl)C(=O)N2)cc1 Homo sapiens CHEMBL4431229 single protein format
CHEMBL4521960 OBDepict OH NH OH O S S Cl IC50 = 57.0 nM 429.95 O=C1NC(c2ccc(O)cc2)(c2ccsc2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431229 single protein format
CHEMBL4475593 OBDepict N N N H OH O S S Cl IC50 = 60.0 nM 522.1 N#CC1CCN(c2ccc(C3(c4ccsc4)CC(O)=C(Sc4ccccc4Cl)C(=O)N3)cc2)CC1 Homo sapiens CHEMBL4431229 single protein format
CHEMBL4101800 OBDepict OH O N S N N F F F S O O NH 2 IC50 = 62.0 nM 584.6 NS(=O)(=O)c1ccc(Cc2c(-c3cccc(-c4ccccc4)c3)nn(-c3nc(C(=O)O)cs3)c2C(F)(F)F)cc1 Homo sapiens CHEMBL4032332 assay format
CHEMBL4543949 OBDepict HO S NH O S Cl N O CH 3 CH 3 IC50 = 70.0 nM 527.11 CC1(C)CN(c2ccc(C3(c4ccsc4)CC(O)=C(Sc4ccccc4Cl)C(=O)N3)cc2)CCO1 Homo sapiens CHEMBL4431229 single protein format
CHEMBL4450897 OBDepict CH 3 O N N H OH O S S Cl IC50 = 75.0 nM 527.11 COC1CCN(c2ccc(C3(c4ccsc4)CC(O)=C(Sc4ccccc4Cl)C(=O)N3)cc2)CC1 Homo sapiens CHEMBL4431229 single protein format
CHEMBL4075666 OBDepict OH O N S N N H 2 N S O O NH 2 IC50 = 75.0 nM 531.62 Nc1c(Cc2ccc(S(N)(=O)=O)cc2)c(-c2cccc(-c3ccccc3)c2)nn1-c1nc(C(=O)O)cs1 Homo sapiens CHEMBL4032332 assay format
CHEMBL4435570 OBDepict HO S N H O S Cl NH IC50 = 77.0 nM 511.11 O=C1NC(c2ccsc2)(c2cccc(NC3CCCCC3)c2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431229 single protein format
CHEMBL4076027 OBDepict OH O N S N N N H S O O NH 2 IC50 = 78.0 nM 517.59 NS(=O)(=O)c1ccc(Nc2cn(-c3nc(C(=O)O)cs3)nc2-c2cccc(-c3ccccc3)c2)cc1 Homo sapiens CHEMBL4032332 assay format
CHEMBL4543194 OBDepict HO S N H O S Cl N O O IC50 = 80.0 nM 513.04 O=C1NC(c2ccc(N3CCOCC3=O)cc2)(c2ccsc2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431229 single protein format
CHEMBL4076958 OBDepict OH O N S N N N H S O O NH 2 IC50 = 96.0 nM 441.49 NS(=O)(=O)c1ccc(Nc2cn(-c3nc(C(=O)O)cs3)nc2-c2ccccc2)cc1 Homo sapiens CHEMBL4032332 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 CHEMBL706380 single protein format
CHEMBL4082867 OBDepict OH O N S N N O S O O NH 2 IC50 = 119.0 nM 558.64 NS(=O)(=O)c1ccc(Oc2c(-c3cccc(-c4ccccc4)c3)nn(-c3nc(C(=O)O)cs3)c2C2CC2)cc1 Homo sapiens CHEMBL4032332 assay format
CHEMBL3581204 OBDepict H 3 C O O S Cl HO O Cl Cl IC50 = 120.0 nM 561.91 CCOC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(c3c(Cl)ccc(-c4ccccc4)c3Cl)CC2=O)c1 Homo sapiens CHEMBL3583865 single protein format
CHEMBL4069796 OBDepict OH O N S N N F F S O O NH 2 IC50 = 129.0 nM 476.49 NS(=O)(=O)c1ccc(Cc2cn(-c3nc(C(=O)O)cs3)nc2-c2ccc(F)c(F)c2)cc1 Homo sapiens CHEMBL4032332 assay format
CHEMBL3581201 OBDepict N S OH OH O Cl Cl O CH 3 CH 3 IC50 = 140.0 nM 464.37 CC(C)Oc1ccc(Cl)c(C2CC(=O)C(Sc3cc(O)ccc3C#N)=C(O)C2)c1Cl Homo sapiens CHEMBL3583865 single protein format
CHEMBL4589484 OBDepict HO S N H O S Cl N O IC50 = 140.0 nM 499.06 O=C1N[C@@](c2ccc(N3CCOCC3)cc2)(c2ccsc2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431229 single protein format
CHEMBL4557701 OBDepict HO S N H O S Cl N O IC50 = 140.0 nM 539.12 O=C1NC(c2ccc(N3CCC4(CC3)COC4)cc2)(c2ccsc2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431229 single protein format
CHEMBL4534918 OBDepict CH 3 O N H 3 C N H HO O S S Cl IC50 = 140.0 nM 527.11 CC1CN(c2ccc(C3(c4ccsc4)CC(O)=C(Sc4ccccc4Cl)C(=O)N3)cc2)CC(C)O1 Homo sapiens CHEMBL4431229 single protein format
CHEMBL4545064 OBDepict HO S N H O S Cl NH O IC50 = 160.0 nM 513.08 O=C1NC(c2ccsc2)(c2cccc(NC3CCOCC3)c2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431229 single protein format
CHEMBL3581199 OBDepict CH 3 O CH 3 Cl Cl OH O S Cl OH IC50 = 180.0 nM 473.81 CC(C)Oc1ccc(Cl)c(C2CC(=O)C(Sc3cc(O)ccc3Cl)=C(O)C2)c1Cl Homo sapiens CHEMBL3583865 single protein format
CHEMBL4583899 OBDepict HO S N H O S Cl IC50 = 180.0 nM 496.1 O=C1NC(c2ccc(C3CCCCC3)cc2)(c2ccsc2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431229 single protein format
CHEMBL4555982 OBDepict F O N H HO O S S Cl IC50 = 190.0 nM 524.04 O=C1NC(c2ccsc2)(c2cccc(Oc3ccc(F)cc3)c2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431229 single protein format
CHEMBL341463 OBDepict H 3 C CH 3 H 3 C OH OH O OH Ki = 200.0 nM 350.41 Cc1cc2c(C(C)C)c(O)c(O)c(C(=O)O)c2cc1Cc1ccccc1 Homo sapiens CHEMBL706380 single protein format
CHEMBL4578904 OBDepict NH 2 HN OH O S S Cl IC50 = 200.0 nM 428.97 Nc1cccc(C2(c3ccsc3)CC(O)=C(Sc3ccccc3Cl)C(=O)N2)c1 Homo sapiens CHEMBL4431229 single protein format
CHEMBL4090794 OBDepict OH O N S N N S O O NH 2 IC50 = 204.0 nM 440.51 NS(=O)(=O)c1ccc(Cc2cn(-c3nc(C(=O)O)cs3)nc2-c2ccccc2)cc1 Homo sapiens CHEMBL4032332 assay format
CHEMBL4437061 OBDepict H 3 C O NH OH O S S Cl IC50 = 210.0 nM 443.98 COc1ccc(C2(c3ccsc3)CC(O)=C(Sc3ccccc3Cl)C(=O)N2)cc1 Homo sapiens CHEMBL4431229 single protein format
CHEMBL3765327 OBDepict CH 3 O N N O CH 3 N HN S NH O O O HO IC50 = 220.0 nM 589.67 COc1ncc(-c2ccc3c(Nc4cc(C(=O)O)cc(C5CCCC5)c4)c(S(=O)(=O)NC4CC4)cnc3c2)c(OC)n1 Homo sapiens CHEMBL3768757 single protein format
CHEMBL3581203 OBDepict H 3 C O S Cl HO O Cl Cl N IC50 = 230.0 nM 506.84 COc1ccc(Cl)c(SC2=C(O)CC(c3c(Cl)ccc(-c4ccncc4)c3Cl)CC2=O)c1 Homo sapiens CHEMBL3583865 single protein format
CHEMBL4474069 OBDepict HO S NH O S Cl N O IC50 = 250.0 nM 499.06 O=C1NC(c2ccsc2)(c2cccc(N3CCOCC3)c2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431229 single protein format
CHEMBL4066429 OBDepict HO O N S N N N S O O NH 2 IC50 = 259.0 nM 517.59 NS(=O)(=O)c1ccc(Cc2c(-c3ccccc3)nn(-c3nc(C(=O)O)cs3)c2-c2cccnc2)cc1 Homo sapiens CHEMBL4032332 assay format
CHEMBL4444202 OBDepict HO HN OH O S S Cl IC50 = 270.0 nM 429.95 O=C1NC(c2ccsc2)(c2cccc(O)c2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431229 single protein format
CHEMBL4468333 OBDepict HO S N H O S Cl N N O IC50 = 390.0 nM 554.14 O=C1NC(c2ccc(N3CCN(C4COC4)CC3)cc2)(c2ccsc2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431229 single protein format
CHEMBL110030 OBDepict H 3 C O CH 3 O H 3 C H 3 C HO O OH O HO CH 3 CH 3 OH Ki = 400.0 nM 514.53 Cc1cc2c(C(C)C)c(O)c(O)c3c2c(c1-c1c(C)cc2c(C(C)C)c(O)c(O)c4c2c1OC4=O)OC3=O Homo sapiens CHEMBL3768757 single protein format
CHEMBL3581200 OBDepict H 3 C O S Cl HO O Cl Cl O CH 3 CH 3 IC50 = 410.0 nM 487.83 COc1ccc(Cl)c(SC2=C(O)CC(c3c(Cl)ccc(OC(C)C)c3Cl)CC2=O)c1 Homo sapiens CHEMBL3583865 single protein format
CHEMBL4063125 OBDepict OH O N S N N OH S O O NH 2 IC50 = 424.0 nM 532.6 NS(=O)(=O)c1ccc(Cc2c(-c3cccc(-c4ccccc4)c3)nn(-c3nc(C(=O)O)cs3)c2O)cc1 Homo sapiens CHEMBL4032332 assay format
CHEMBL4065858 OBDepict HO S N H O S Cl N O IC50 = 441.0 nM 499.06 O=C1N[C@](c2ccc(N3CCOCC3)cc2)(c2ccsc2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4032332 assay format
CHEMBL4445937 OBDepict OH S HN O S Cl IC50 = 480.0 nM 454.02 O=C1NC(c2ccc(C3CC3)cc2)(c2ccsc2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431229 single protein format
CHEMBL3581205 OBDepict H 3 C O S Cl HO O Cl Cl N H O IC50 = 490.0 nM 528.89 COc1ccc(Cl)c(SC2=C(O)CC(c3c(Cl)ccc(NC4CCOCC4)c3Cl)CC2=O)c1 Homo sapiens CHEMBL3583865 single protein format
CHEMBL435995 OBDepict CH 3 CH 3 HO HO O HO Ki = 500.0 nM 322.36 Cc1cc2c(C)c(O)c(O)c(C(=O)O)c2cc1Cc1ccccc1 Homo sapiens CHEMBL706380 single protein format
CHEMBL4574842 OBDepict HO S N H O S Cl O O IC50 = 660.0 nM 514.07 O=C1NC(c2ccsc2)(c2cccc(OC3CCOCC3)c2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431229 single protein format
CHEMBL3765374 OBDepict CH 3 H 3 C CH 3 HO O HO HO O OH OH CH 3 H 3 C OH Ki = 700.0 nM 504.54 Cc1cc2c(C(C)C)c(O)c(O)c(C(=O)O)c2cc1-c1ccc2c(C(C)C)c(O)c(O)c(C(=O)O)c2c1 Homo sapiens CHEMBL3768757 single protein format
CHEMBL4076973 OBDepict OH O N S N N HO F F S O O NH 2 IC50 = 724.0 nM 492.49 NS(=O)(=O)c1ccc(Cc2c(-c3ccc(F)c(F)c3)nn(-c3nc(C(=O)O)cs3)c2O)cc1 Homo sapiens CHEMBL4032332 assay format
CHEMBL4530052 OBDepict OH S N H O S Cl IC50 = 740.0 nM 413.95 O=C1NC(c2ccccc2)(c2ccsc2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431229 single protein format
CHEMBL4575930 OBDepict HO S N H O S Cl N HN IC50 = 780.0 nM 498.07 O=C1NC(c2ccc(N3CCNCC3)cc2)(c2ccsc2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431229 single protein format
CHEMBL4591832 OBDepict Br HN OH O S S Cl IC50 = 800.0 nM 492.85 O=C1NC(c2ccsc2)(c2cccc(Br)c2)CC(O)=C1Sc1ccccc1Cl Homo sapiens CHEMBL4431229 single protein format
CHEMBL3318485 OBDepict N S OH O Br Br IC50 = 860.0 nM 479.19 N#Cc1ccccc1SC1=C(O)CC(c2c(Br)cccc2Br)CC1=O Homo sapiens CHEMBL3369988 single protein format
CHEMBL4099443 OBDepict OH O N S N N OH F S O O NH 2 IC50 = 911.0 nM 550.59 NS(=O)(=O)c1ccc(Cc2c(-c3cccc(-c4ccccc4F)c3)nn(-c3nc(C(=O)O)cs3)c2O)cc1 Homo sapiens CHEMBL4032332 assay format
CHEMBL4877797 OBDepict OH O N S N N N H S O O NH 2 IC50 = 1000.0 nM 585.71 NS(=O)(=O)c1ccc(Cc2c(-c3cccc(Nc4ccccc4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1 Homo sapiens CHEMBL4817967 single protein format
CHEMBL127327 OBDepict H 3 C HO HO CH 3 O HO Ki = 1000.0 nM 260.29 CCCc1c(O)c(O)c(C(=O)O)c2ccc(C)cc12 Homo sapiens CHEMBL706380 single protein format