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TargetPenicillopepsin
LigandBDBM50291995
Substrate/Competitorn/a
Meas. Tech.ChEMBL_153838
pH5.5±n/a
Ki 107000±n/a nM
Commentsextracted
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 Chem 45:2469-83 (2002) [PubMed]
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Penicillopepsin
Name:Penicillopepsin
Synonyms:n/a
Type:PROTEIN
Mol. Mass.:33440.04
Organism:Penicillium janthinellum
Description:ChEMBL_153837
Residue:323
Sequence:
AASGVATNTPTANDEEYITPVTIGGTTLNLNFDTGSADLWVFSTELPASQQSGHSVYNPS
ATGKELSGYTWSISYGDGSSASGNVFTDSVTVGGVTAHGQAVQAAQQISAQFQQDTNNDG
LLGLAFSSINTVQPQSQTTFFDTVKSSLAQPLFAVALKHQQPGVYDFGFIDSSKYTGSLT
YTGVDNSQGFWSFNVDSYTAGSQSGDGFSGIADTGTTLLLLDDSVVSQYYSQVSGAQQDS
NAGGYVFDCSTNLPDFSVSISGYTATVPGSLINYGPSGDGSTCLGGIQSNSGIGFSIFGD
IFLKSQYVVFDSDGPQLGFAPQA
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  Blast E-value cutoff:
BDBM50291995
n/a
NameBDBM50291995
Synonyms:2-({1-[2-(2-Benzyloxycarbonylamino-propionylamino)-propionylamino]-3-methyl-butyl}-hydroxy-phosphinoyloxy)-3-phenyl-propionic acid methyl ester | CHEMBL81505
TypeSmall organic molecule
Emp. Form.C29H40N3O9P
Mol. Mass.605.6164
SMILESCOC(=O)[C@H](Cc1ccccc1)O[P@](O)(=O)[C@H](CC(C)C)NC(=O)C(C)NC(=O)C(C)NC(=O)OCc1ccccc1
Structure
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