Reaction Details Report a problem with these data
Target
Aldehyde dehydrogenase 1A1
Ligand
BDBM50034997
Substrate
n/a
Meas. Tech.
ChEMBL_31155 (CHEMBL646620)
IC50
>1000000±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:
BDBM50034997
Synonyms:
2-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[d]isothiazol-3-one | CHEMBL301468
Type:
Small organic molecule
Emp. Form.:
C7H5NO4S
Mol. Mass.:
199.184
SMILES:
ON1C(=O)c2ccccc2S1(=O)=O
Structure:
Search PDB for entries with ligand similarity: