Reaction Details
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L-lactate dehydrogenase A chain
Ligand
BDBM488281
Substrate
n/a
Meas. Tech.
ChEMBL_2017128 (CHEMBL4670706)
IC50
1174±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:
BDBM488281
Synonyms:
2-(5-(cyclopropylmethyl)-4-(3- fluoro-4-sulfamoylbenzyl)- 3-(3-((2-methylthiazol-4- yl)ethynyl)phenyl)-1H-pyrazol-1- yl)thiazole-4-carboxylic acid | US10954228, Compound 236 | US11752138, Compound 236
Type:
Small organic molecule
Emp. Form.:
C30H24FN5O4S3
Mol. Mass.:
633.736
SMILES:
Cc1nc(cs1)C#Cc1cccc(c1)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
Structure:
