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TargetPenicillopepsin
LigandBDBM50291996
Substrate/Competitorn/a
Meas. Tech.ChEMBL_153835
Ki 20000±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 Chem 45:2469-83 (2002) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
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:
BDBM50291996
n/a
NameBDBM50291996
Synonyms:CHEMBL82364 | [Hydroxy-(3-methyl-1-{3-methyl-2-[3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-butyrylamino}-butyl)-phosphinoyl]-acetic acid ethyl ester
TypeSmall organic molecule
Emp. Form.C24H46N3O7P
Mol. Mass.519.6117
SMILESCCOC(=O)C[P@@](O)(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C
Structure
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