Target
Aldehyde dehydrogenase 1A1
Ligand
BDBM50035002
Substrate
n/a
Meas. Tech.
ChEMBL_31156 (CHEMBL646621)
IC50
24000±n/a nM
Citation
 Nagasawa, HTDeMaster, EGGoon, DJKawle, SPShirota, FN Carbethoxylating agents as inhibitors of aldehyde dehydrogenase. J Med Chem 38:1872-6 (1995) [PubMed]  Article 
Target
Name:
Aldehyde dehydrogenase 1A1
Synonyms:
AL1A1_RAT | Aldh | Aldh1a1
Type:
PROTEIN
Mol. Mass.:
54465.59
Organism:
Rattus norvegicus
Description:
ChEMBL_31158
Residue:
501
Sequence:
MSSPAQPAVPAPLANLKIQHTKIFINNEWHDSVSGKKFPVLNPATEEVICHVEEGDKADVDKAVKAARQAFQIGSPWRTMDASERGRLLNKLADLMERDRLLLATIEAINGGKVFANAYLSDLGGSIKALKYCAGWADKIHGQTIPSDGDIFTFTRREPIGVCGQIIPWNFPLLMFIWKIGPALSCGNTVVVKPAEQTPLTALHMASLIKEAGFPPGVVNIVPGYGPTAGAAISSHMDVDKVAFTGSTQVGKLIKEAAGKSNLKRVTLELGGKSPCIVFADADLDIAVEFAHHGVFYHQGQCCVAASRIFVEESVYDEFVRKSVERAKKYVLGNPLTQGINQGPQIDKEQHDKILDLIESGKKEGAKLECGGGRWGNKGFFVQPTVFSNVTDEMRIAKEEIFGPVQQIMKFKSIDDVIKRANNTTYGLAAGVFTKDLDRAITVSSALQAGVVWVNCYMILSAQCPFGGFKMSGNGRELGEHGLYEYTELKTVAMKISQKNS
  
Inhibitor
Name:
BDBM50035002
Synonyms:
CHEMBL299785 | ethyl (4-chlorophenyl)sulfonyl[(ethoxycarbonyl)oxy]carbamate
Type:
Small organic molecule
Emp. Form.:
C12H14ClNO7S
Mol. Mass.:
351.76
SMILES:
CCOC(=O)ON(C(=O)OCC)S(=O)(=O)c1ccc(Cl)cc1
Structure:
Search PDB for entries with ligand similarity: