Target
Aldehyde dehydrogenase, cytosolic 1
Ligand
BDBM50292380
Substrate
n/a
Meas. Tech.
ChEMBL_482174 (CHEMBL960208)
IC50
160±n/a nM
Citation
 Shin, KHWoo, WSLim, SSShim, CSChung, HSKennelly, EJKinghorn, AD Elgonica-Dimers A and B, Two Potent Alcohol Metabolism Inhibitory Constituents of Aloe arborescens J Nat Prod 60:1180-1182 (1997)    Article 
Target
Name:
Aldehyde dehydrogenase, cytosolic 1
Synonyms:
AL1A7_RAT | Aldh-pb | Aldh1 | Aldh1a4 | Aldh1a7
Type:
PROTEIN
Mol. Mass.:
54563.57
Organism:
Rattus norvegicus
Description:
ChEMBL_482174
Residue:
501
Sequence:
MSSPAQPAVPAPLANLKIQHTKIFINNEWHNSLNGKKFPVINPATEEVICHVEEGDKADVDKAVKAARQAFQIGSPWRTMDASERGCLLNKLADLMERDRVLLATMESMNAGKIFTHAYLLDTEVSIKALKYFAGWADKIHGQTIPSDGDVFTYTRREPIGVCGQIIPWNGPLILFIWKIGAALSCGNTVIVKPAEQTPLTALYMASLIKEAGFPPGVVNVVPGYGSTAGAAISSHMDIDKVSFTGSTEVGKLIKEAAGKSNLKRVTLELGGKSPCIVFADADLDSAVEFAHQGVFFHQGQICVAASRLFVEESIYDEFVRRSVERAKKYVLGNPLDSGISQGPQIDKEQHAKILDLIESGKKEGAKLECGGGRWGNKGFFVQPTVFSNVTDEMRIAKEEIFGPVQQIMKFKSIDEVIKRANNTPYGLAAGVFTKDLDRAITVSSALQAGTVWVNCYLTLSVQCPFGGFKMSGNGREMGEQGVYEYTELKTVAMKISQKNS
  
Inhibitor
Name:
BDBM50292380
Synonyms:
10'-D-glucopyranosyl-1,8,1',8'-tetrahydroxy-3,3'-bis(hydroxymethyl)[7,10'-bianthracene]-9,10,9'-trione A | CHEMBL449188 | CHEMBL494494
Type:
Small organic molecule
Emp. Form.:
C36H30O14
Mol. Mass.:
686.615
SMILES:
OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)C1(c2ccc3C(=O)c4cc(CO)cc(O)c4C(=O)c3c2O)c2cccc(O)c2C(=O)c2c(O)cc(CO)cc12 |r|
Structure:
Search PDB for entries with ligand similarity: