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Target
Aspartate aminotransferase, cytoplasmic
Ligand
BDBM50048280
Substrate
n/a
Meas. Tech.
ChEMBL_2193292 (CHEMBL5105652)
IC50
21790±n/a nM
Citation
 Wu, Q; Sun, Z; Chen, Z; Liu, J; Ding, H; Luo, C; Wang, M; Du, D The discovery of a non-competitive GOT1 inhibitor, hydralazine hydrochloride, via a coupling reaction-based high-throughput screening assay. Bioorg Med Chem Lett 73:0 (2022) [PubMed] 
Target
Name:
Aspartate aminotransferase, cytoplasmic
Synonyms:
2.6.1.1 | 2.6.1.3 | AATC_HUMAN | Aspartate aminotransferase, cytoplasmic | Cysteine aminotransferase, cytoplasmic | Cysteine transaminase, cytoplasmic | GOT1 | Glutamate oxaloacetate transaminase 1 | Transaminase A | cAspAT | cCAT
Type:
PROTEIN
Mol. Mass.:
46249.45
Organism:
Homo sapiens
Description:
ChEMBL_105469
Residue:
413
Sequence:
MAPPSVFAEVPQAQPVLVFKLTADFREDPDPRKVNLGVGAYRTDDCHPWVLPVVKKVEQKIANDNSLNHEYLPILGLAEFRSCASRLALGDDSPALKEKRVGGVQSLGGTGALRIGADFLARWYNGTNNKNTPVYVSSPTWENHNAVFSAAGFKDIRSYRYWDAEKRGLDLQGFLNDLENAPEFSIVVLHACAHNPTGIDPTPEQWKQIASVMKHRFLFPFFDSAYQGFASGNLERDAWAIRYFVSEGFEFFCAQSFSKNFGLYNERVGNLTVVGKEPESILQVLSQMEKIVRITWSNPPAQGARIVASTLSNPELFEEWTGNVKTMADRILTMRSELRARLEALKTPGTWNHITDQIGMFSFTGLNPKQVEYLVNEKHIYLLPSGRINVSGLTTKNLDYVATSIHEAVTKIQ
  
Inhibitor
Name:
BDBM50048280
Synonyms:
6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic acid | 6-(3-adamantan-1-yl-4-methoxyphenyl)naphthalene-2-carboxylic acid | ADAPALENE | CHEMBL1265
Type:
Small organic molecule
Emp. Form.:
C28H28O3
Mol. Mass.:
412.5201
SMILES:
COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O |TLB:7:8:11:15.14.13,THB:9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8|
Structure:
Search PDB for entries with ligand similarity: