| Reaction Details |
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 | Report a problem with these data |
| Target | Saccharopepsin |
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| Ligand | BDBM50113847 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_197598 (CHEMBL803023) |
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| Ki | 400±n/a nM |
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| Citation |  Cozzini, P; Fornabaio, M; Marabotti, A; Abraham, DJ; Kellogg, GE; Mozzarelli, 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] |
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| More Info.: | Get all data from this article, Assay Method |
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| Saccharopepsin |
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| Name: | Saccharopepsin |
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| Synonyms: | CARP_YEAST | PEP4 | PHO9 | PRA1 | Saccharopepesin |
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| Type: | PROTEIN |
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| Mol. Mass.: | 44479.78 |
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| Organism: | Saccharomyces cerevisiae |
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| Description: | ChEMBL_197598 |
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| Residue: | 405 |
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| Sequence: | MFSLKALLPLALLLVSANQVAAKVHKAKIYKHELSDEMKEVTFEQHLAHLGQKYLTQFEK
ANPEVVFSREHPFFTEGGHDVPLTNYLNAQYYTDITLGTPPQNFKVILDTGSSNLWVPSN
ECGSLACFLHSKYDHEASSSYKANGTEFAIQYGTGSLEGYISQDTLSIGDLTIPKQDFAE
ATSEPGLTFAFGKFDGILGLGYDTISVDKVVPPFYNAIQQDLLDEKRFAFYLGDTSKDTE
NGGEATFGGIDESKFKGDITWLPVRRKAYWEVKFEGIGLGDEYAELESHGAAIDTGTSLI
TLPSGLAEMINAEIGAKKGWTGQYTLDCNTRDNLPDLIFNFNGYNFTIGPYDYTLEVSGS
CISAITPMDFPEPVGPLAIVGDAFLRKYYSIYDLGNNAVGLAKAI
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| BDBM50113847 |
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| n/a |
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| Name | BDBM50113847 |
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| Synonyms: | 1H-Benzoimidazole-2-carboxylic acid {1-[1-cyclohexylmethyl-2-hydroxy-4-(2-morpholin-4-yl-ethylcarbamoyl)-hept-6-ynylcarbamoyl]-2-methylsulfanyl-ethyl}-amide | CHEMBL83697 |
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| Type | Small organic molecule |
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| Emp. Form. | C33H48N6O5S |
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| Mol. Mass. | 640.836 |
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| SMILES | CSC[C@H](NC(=O)c1nc2ccccc2[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](CC#C)C(=O)NCCN1CCOCC1 |
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| Structure | 
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