| Reaction Details |
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 | Report a problem with these data |
| Target | Chymotrypsinogen A |
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| Ligand | BDBM50118030 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_49927 (CHEMBL664296) |
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| IC50 | 540±n/a nM |
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| Citation |  Macdonald, SJ; Dowle, MD; Harrison, LA; Clarke, GD; Inglis, GG; Johnson, MR; Shah, P; Smith, RA; Amour, A; Fleetwood, G; Humphreys, DC; Molloy, CR; Dixon, M; Godward, RE; Wonacott, AJ; Singh, OM; Hodgson, ST; Hardy, GW Discovery of further pyrrolidine trans-lactams as inhibitors of human neutrophil elastase (HNE) with potential as development candidates and the crystal structure of HNE complexed with an inhibitor (GW475151). J Med Chem45:3878-90 (2002) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| Chymotrypsinogen A |
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| Name: | Chymotrypsinogen A |
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| Synonyms: | Alpha-chymotrypsin | CTRA_BOVIN | Chymotrypsin A | Chymotrypsin A chain A | Chymotrypsin A chain B | Chymotrypsin A chain C | Chymotrypsinogen A | alpha-Chymotrypsin (α-Chymotrypsin) |
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| Type: | Serine protease |
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| Mol. Mass.: | 25670.88 |
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| Organism: | Bos taurus (bovine) |
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| Description: | n/a |
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| Residue: | 245 |
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| Sequence: | CGVPAIQPVLSGLSRIVNGEEAVPGSWPWQVSLQDKTGFHFCGGSLINENWVVTAAHCGV
TTSDVVVAGEFDQGSSSEKIQKLKIAKVFKNSKYNSLTINNDITLLKLSTAASFSQTVSA
VCLPSASDDFAAGTTCVTTGWGLTRYTNANTPDRLQQASLPLLSNTNCKKYWGTKIKDAM
ICAGASGVSSCMGDSGGPLVCKKNGAWTLVGIVSWGSSTCSTSTPGVYARVTALVNWVQQ
TLAAN
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| BDBM50118030 |
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| n/a |
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| Name | BDBM50118030 |
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| Synonyms: | 4-(5-Cyclopropylaminomethyl-pyrazine-2-carbonyl)-3-isopropyl-1-methanesulfonyl-hexahydro-pyrrolo[3,2-b]pyrrol-2-one; hydrochloride | CHEMBL543416 |
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| Type | Small organic molecule |
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| Emp. Form. | C19H27N5O4S |
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| Mol. Mass. | 421.514 |
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| SMILES | CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)c2cnc(CNC3CC3)cn2)N(C1=O)S(C)(=O)=O |
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| Structure | 
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