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TargetSaccharopepesin
LigandBDBM50113828
Substrate/Competitorn/a
Meas. Tech.ChEMBL_197598
Ki 3740±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
 
Saccharopepesin
Name:Saccharopepesin
Synonyms:n/a
Type:PROTEIN
Mol. Mass.:44479.78
Organism:Saccharomyces cerevisiae
Description:ChEMBL_197598
Residue:405
Sequence:
MFSLKALLPLALLLVSANQVAAKVHKAKIYKHELSDEMKEVTFEQHLAHLGQKYLTQFEK
ANPEVVFSREHPFFTEGGHDVPLTNYLNAQYYTDITLGTPPQNFKVILDTGSSNLWVPSN
ECGSLACFLHSKYDHEASSSYKANGTEFAIQYGTGSLEGYISQDTLSIGDLTIPKQDFAE
ATSEPGLTFAFGKFDGILGLGYDTISVDKVVPPFYNAIQQDLLDEKRFAFYLGDTSKDTE
NGGEATFGGIDESKFKGDITWLPVRRKAYWEVKFEGIGLGDEYAELESHGAAIDTGTSLI
TLPSGLAEMINAEIGAKKGWTGQYTLDCNTRDNLPDLIFNFNGYNFTIGPYDYTLEVSGS
CISAITPMDFPEPVGPLAIVGDAFLRKYYSIYDLGNNAVGLAKAI
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  Blast E-value cutoff:
BDBM50113828
n/a
NameBDBM50113828
Synonyms:CHEMBL311322 | {1-[1-(1-Cyclohexylmethyl-2-hydroxy-6-methyl-4-methylcarbamoyl-heptylcarbamoyl)-2-(3H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester
TypeSmall organic molecule
Emp. Form.C37H58N6O6
Mol. Mass.682.893
SMILESCNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C
Structure
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