Reaction Details Report a problem with these data
Target
AMP deaminase 3
Ligand
BDBM50087411
Substrate
n/a
Meas. Tech.
ChEMBL_28867 (CHEMBL644199)
Ki
170±n/a nM
Citation
 Bookser, BC; Kasibhatla, SR; Erion, MD AMP deaminase inhibitors. 4. Further N3-substituted coformycin aglycon analogues: N3-alkylmalonates as ribose 5'-monophosphate mimetics. J Med Chem 43:1519-24 (2000) [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:
BDBM50087411
Synonyms:
2-Benzyl-2-[4-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-butyl]-malonic acid 0.5H2O.0.5(C2H5)2O | CHEMBL39940
Type:
Small organic molecule
Emp. Form.:
C20H24N4O5
Mol. Mass.:
400.4284
SMILES:
OC1CNC=Nc2c1ncn2CCCCC(Cc1ccccc1)(C(O)=O)C(O)=O |c:4|
Structure:
Search PDB for entries with ligand similarity: