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Target
Alcohol dehydrogenase E/S chain
Ligand
BDBM50368629
Substrate
n/a
Meas. Tech.
ChEMBL_30841 (CHEMBL645404)
Ki
1.1±n/a nM
Citation
 Pankiewicz, KW; Zeidler, J; Ciszewski, LA; Bell, JE; Goldstein, BM; Jayaram, HN; Watanabe, KA Synthesis of isosteric analogues of nicotinamide adenine dinucleotide containing C-nucleotide of nicotinamide or picolinamide. J Med Chem 36:1855-9 (1993) [PubMed]  Article 
Target
Name:
Alcohol dehydrogenase E/S chain
Synonyms:
Alcohol dehydrogenase
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 30849
Components:
This complex has 2 components.
Component 1
Name:
Alcohol dehydrogenase E chain
Synonyms:
1.1.1.1 | ADH1E_HORSE | Alcohol dehydrogenase E chain
Type:
PROTEIN
Mol. Mass.:
39942.66
Organism:
Equus caballus
Description:
ChEMBL_105061
Residue:
375
Sequence:
MSTAGKVIKCKAAVLWEEKKPFSIEEVEVAPPKAHEVRIKMVATGICRSDDHVVSGTLVTPLPVIAGHEAAGIVESIGEGVTTVRPGDKVIPLFTPQCGKCRVCKHPEGNFCLKNDLSMPRGTMQDGTSRFTCRGKPIHHFLGTSTFSQYTVVDEISVAKIDAASPLEKVCLIGCGFSTGYGSAVKVAKVTQGSTCAVFGLGGVGLSVIMGCKAAGAARIIGVDINKDKFAKAKEVGATECVNPQDYKKPIQEVLTEMSNGGVDFSFEVIGRLDTMVTALSCCQEAYGVSVIVGVPPDSQNLSMNPMLLLSGRTWKGAIFGGFKSKDSVPKLVADFMAKKFALDPLITHVLPFEKINEGFDLLRSGESIRTILTF
  
Component 2
Name:
Alcohol dehydrogenase S chain
Synonyms:
1.1.1.1 | ADH1S_HORSE | Alcohol dehydrogenase S chain
Type:
PROTEIN
Mol. Mass.:
39633.49
Organism:
Equus caballus
Description:
ChEMBL_105061
Residue:
374
Sequence:
MSTAGKVIKCKAAVLWEQKKPFSIEEVEVAPPKAHEVRIKMVAAGICRSDDHVVSGTLVAPLPVIAGHEAAGIVESIGEGVTTVRPGDKVIPLFIPQCGKCSVCKHPEGNLCLKNLSMPRGTMQDGTSRFTCRGKPIHHFLGTSTFSQYTVVDEISVAKIDAASPLEKVCLVGCGFSTGYGSAVKVAKVTQGSTCAVFGLGGVGLSVIMGCKAAGAARIIGVDINKDKFAKAKEVGATECVNPQDYKKPIQEVLTEMSNGGVDFSFEVIGRLDTMVAALSCCQEAYGVSVIVGVPPDSQNLSMNPMLLLSGRTWKGAIFGGFKSKDSVPKLVADFMAKKFALDPLITHVLPFEKINEGFDLLRSGKSIRTILTF
  
Inhibitor
Name:
BDBM50368629
Synonyms:
CHEMBL2368671
Type:
Small organic molecule
Emp. Form.:
C21H27N7O14P2
Mol. Mass.:
663.4251
SMILES:
NC(=O)c1cncc(c1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r|
Structure:
Search PDB for entries with ligand similarity: