Reaction Details Report a problem with these data
Target
AMP deaminase 3
Ligand
BDBM50087332
Substrate
n/a
Meas. Tech.
ChEMBL_31886 (CHEMBL645676)
Ki
410±n/a nM
Citation
 Kasibhatla, SR; Bookser, BC; Xiao, W; Erion, MD AMP deaminase inhibitors. 5. Design, synthesis, and SAR of a highly potent inhibitor series. J Med Chem 44:613-8 (2001) [PubMed]  Article 
Target
Name:
AMP deaminase 3
Synonyms:
AMP deaminase 3 | AMP deaminase 3 (hAMPD3) | AMPD3 | AMPD3_HUMAN
Type:
Protein
Mol. Mass.:
88818.80
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
767
Sequence:
MPRQFPKLNISEVDEQVRLLAEKVFAKVLREEDSKDALSLFTVPEDCPIGQKEAKERELQKELAEQKSVETAKRKKSFKMIRSQSLSLQMPPQQDWKGPPAASPAMSPTTPVVTGATSLPTPAPYAMPEFQRVTISGDYCAGITLEDYEQAAKSLAKALMIREKYARLAYHRFPRITSQYLGHPRADTAPPEEGLPDFHPPPLPQEDPYCLDDAPPNLDYLVHMQGGILFVYDNKKMLEHQEPHSLPYPDLETYTVDMSHILALITDGPTKTYCHRRLNFLESKFSLHEMLNEMSEFKELKSNPHRDFYNVRKVDTHIHAAACMNQKHLLRFIKHTYQTEPDRTVAEKRGRKITLRQVFDGLHMDPYDLTVDSLDVHAGRQTFHRFDKFNSKYNPVGASELRDLYLKTENYLGGEYFARMVKEVARELEESKYQYSEPRLSIYGRSPEEWPNLAYWFIQHKVYSPNMRWIIQVPRIYDIFRSKKLLPNFGKMLENIFLPLFKATINPQDHRELHLFLKYVTGFDSVDDESKHSDHMFSDKSPNPDVWTSEQNPPYSYYLYYMYANIMVLNNLRRERGLSTFLFRPHCGEAGSITHLVSAFLTADNISHGLLLKKSPVLQYLYYLAQIPIAMSPLSNNSLFLEYSKNPLREFLHKGLHVSLSTDDPMQFHYTKEALMEEYAIAAQVWKLSTCDLCEIARNSVLQSGLSHQEKQKFLGQNYYKEGPEGNDIRKTNVAQIRMAFRYETLCNELSFLSDAMKSEEITALTN
  
Inhibitor
Name:
BDBM50087332
Synonyms:
2-Benzyl-6-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-hexanoic acid | 2-Benzyl-6-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-hexanoic acid H2O.0.2CH3CO2H | CHEMBL35929
Type:
Small organic molecule
Emp. Form.:
C19H24N4O3
Mol. Mass.:
356.4189
SMILES:
OC1CNC=Nc2c1ncn2CCCCC(Cc1ccccc1)C(O)=O |c:4|
Structure:
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