Reaction Details |
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Target | Penicillopepsin-1 |
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Ligand | BDBM50291996 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_153835 (CHEMBL757021) |
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Ki | 20000±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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Penicillopepsin-1 |
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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
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BDBM50291996 |
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n/a |
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Name | BDBM50291996 |
Synonyms: | CHEMBL82364 | [Hydroxy-(3-methyl-1-{3-methyl-2-[3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-butyrylamino}-butyl)-phosphinoyl]-acetic acid ethyl ester |
Type | Small organic molecule |
Emp. Form. | C24H46N3O7P |
Mol. Mass. | 519.6117 |
SMILES | CCOC(=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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