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TargetPenicillopepsin-1
LigandBDBM50291997
Substrate/Competitorn/a
Meas. Tech.ChEMBL_153835 (CHEMBL757021)
Ki 42000±n/a nM
Citation Cozzini, PFornabaio, MMarabotti, AAbraham, DJKellogg, GEMozzarelli, A Simple, intuitive calculations of free energy of binding for protein-ligand complexes. 1. Models without explicit constrained water. J Med Chem45:2469-83 (2002) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Penicillopepsin-1
Name:Penicillopepsin-1
Synonyms:PEPA1_PENJA | Penicillopepsin
Type:PROTEIN
Mol. Mass.:33440.04
Organism:Penicillium janthinellum
Description:ChEMBL_153837
Residue:323
Sequence:
AASGVATNTPTANDEEYITPVTIGGTTLNLNFDTGSADLWVFSTELPASQQSGHSVYNPS
ATGKELSGYTWSISYGDGSSASGNVFTDSVTVGGVTAHGQAVQAAQQISAQFQQDTNNDG
LLGLAFSSINTVQPQSQTTFFDTVKSSLAQPLFAVALKHQQPGVYDFGFIDSSKYTGSLT
YTGVDNSQGFWSFNVDSYTAGSQSGDGFSGIADTGTTLLLLDDSVVSQYYSQVSGAQQDS
NAGGYVFDCSTNLPDFSVSISGYTATVPGSLINYGPSGDGSTCLGGIQSNSGIGFSIFGD
IFLKSQYVVFDSDGPQLGFAPQA
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50291997
n/a
NameBDBM50291997
Synonyms:2-[(1-{3-Carbamoyl-2-[3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-propionylamino}-3-methyl-butyl)-hydroxy-phosphinoyloxy]-3-phenyl-propionic acid methyl ester | CHEMBL309930
TypeSmall organic molecule
Emp. Form.C29H47N4O9P
Mol. Mass.626.6786
SMILESCOC(=O)[C@H](Cc1ccccc1)O[P@](O)(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)C(NC(=O)CC(C)C)C(C)C
Structure
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