Reaction Details
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L-lactate dehydrogenase A chain
Ligand
BDBM50546981
Substrate
n/a
Meas. Tech.
ChEMBL_2017127 (CHEMBL4670705)
IC50
5.0±n/a nM
Citation
Rai, G; Urban, DJ; Mott, BT; Hu, X; Yang, SM; Benavides, GA; Johnson, MS; Squadrito, GL; Brimacombe, KR; Lee, TD; Cheff, DM; Zhu, H; Henderson, MJ; Pohida, K; Sulikowski, GA; Dranow, DM; Kabir, M; Shah, P; Padilha, E; Tao, D; Fang, Y; Christov, PP; Kim, K; Jana, S; Muttil, P; Anderson, T; Kunda, NK; Hathaway, HJ; Kusewitt, DF; Oshima, N; Cherukuri, M; Davies, DR; Norenberg, JP; Sklar, LA; Moore, WJ; Dang, CV; Stott, GM; Neckers, L; Flint, AJ; Darley-Usmar, VM; Simeonov, A; Waterson, AG; Jadhav, A; Hall, MD; Maloney, DJ Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties. J Med Chem 63:10984-11011 (2020) [PubMed] Article More Info.:
Target
Name:
L-lactate dehydrogenase A chain
Synonyms:
Cell proliferation-inducing gene 19 protein | L-lactate dehydrogenase A | L-lactate dehydrogenase A Chain | LDH muscle subunit | LDH-A | LDH-M | LDHA | LDHA_HUMAN | Lactate dehydrogenase A (LDHA) | Renal carcinoma antigen NY-REN-59
Type:
Protein
Mol. Mass.:
36694.85
Organism:
Homo sapiens (Human)
Description:
P00338::PDB Code: 4ajp
Residue:
332
Sequence:
MATLKDQLIYNLLKEEQTPQNKITVVGVGAVGMACAISILMKDLADELALVDVIEDKLKGEMMDLQHGSLFLRTPKIVSGKDYNVTANSKLVIITAGARQQEGESRLNLVQRNVNIFKFIIPNVVKYSPNCKLLIVSNPVDILTYVAWKISGFPKNRVIGSGCNLDSARFRYLMGERLGVHPLSCHGWVLGEHGDSSVPVWSGMNVAGVSLKTLHPDLGTDKDKEQWKEVHKQVVESAYEVIKLKGYTSWAIGLSVADLAESIMKNLRRVHPVSTMIKGLYGIKDDVFLSVPCILGQNGISDLVKVTLTSEEEARLKKSADTLWGIQKELQF
Inhibitor
Name:
BDBM50546981
Synonyms:
CHEMBL4797357
Type:
Small organic molecule
Emp. Form.:
C31H28F2N4O6S2
Mol. Mass.:
654.704
SMILES:
NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CC(O)C2CCOC2)-c2nc(cs2)C(O)=O)cc1F
Structure:
