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Target
Aldehyde dehydrogenase 1A1
Ligand
BDBM50034996
Substrate
n/a
Meas. Tech.
ChEMBL_31155 (CHEMBL646620)
IC50
240000±n/a nM
Citation
 Nagasawa, HT; Kawle, SP; Elberling, JA; DeMaster, EG; Fukuto, JM Prodrugs of nitroxyl as potential aldehyde dehydrogenase inhibitors vis-a-vis vascular smooth muscle relaxants. J Med Chem 38:1865-71 (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:
BDBM50034996
Synonyms:
Acetic acid 1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-yl ester | CHEMBL301142
Type:
Small organic molecule
Emp. Form.:
C9H7NO5S
Mol. Mass.:
241.221
SMILES:
CC(=O)ON1C(=O)c2ccccc2S1(=O)=O
Structure:
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