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Target
L-lactate dehydrogenase A chain
Ligand
BDBM488177
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
<100±n/a nM
Citation
 Maloney, DJ; Waterson, AG; Bantukallu, GR; Brimacombe, KR; Christov, P; Dang, CV; Darley-Usmar, VM; Hall, M; Hu, X; Jadhav, A; Jana, S; Kim, K; Moore, WJ; Mott, BT; Neckers, LM; Simeonov, A; Sulikowski, GA; Urban, DJ; Yang, SM 1 H-pyrazol-1-yl-thiazoles as inhibitors of lactate dehydrogenase and methods of use thereof US Patent  US10954228 Publication Date 3/23/2021 
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:
BDBM488177
Synonyms:
2-(5-(cyclopropylmethyl)-4- (3-fluoro-4-sulfamoylbenzyl)-3- (3-((cis)-3-(5-methylthiophen-2- yl)cyclobutyl)phenyl)-1H-pyrazol- 1-yl)thiazole-4-carboxylic acid | US10954228, Compound 132
Type:
Small organic molecule
Emp. Form.:
C33H32FN4O3S3
Mol. Mass.:
647.825
SMILES:
Cc1ccc(s1)[C@H]1C[C@H](C1)c1cccc(c1)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)[SH+](N)=O)-c1nc(cs1)C(O)=O |r,wU:8.11,6.6,(10.54,3.97,;9.2,3.2,;8.73,1.73,;7.19,1.73,;6.71,3.2,;7.96,4.1,;5.22,3.59,;3.89,2.82,;3.12,4.16,;4.45,4.93,;1.63,4.56,;1.23,6.04,;-.25,6.44,;-1.34,5.35,;-.94,3.87,;.54,3.47,;-2.03,2.78,;-3.55,3.02,;-4.25,1.65,;-3.16,.56,;-3.56,-.93,;-5.05,-1.33,;-6.54,-.93,;-6.14,-2.42,;-1.79,1.26,;-.46,.49,;-.46,-1.05,;-1.79,-1.82,;-1.79,-3.36,;-.46,-4.13,;.88,-3.36,;2.21,-4.13,;.88,-1.82,;-.46,-5.67,;.88,-6.44,;-1.79,-6.44,;-5.74,1.25,;-6.44,-.12,;-7.96,.12,;-8.2,1.64,;-6.83,2.34,;-9.05,-.97,;-10.54,-.57,;-8.65,-2.46,)|
Structure:
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