| Reaction Details |
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 | Report a problem with these data |
| Target | Serine protease 1 |
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| Ligand | BDBM50472459 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_213236 (CHEMBL821446) |
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| Ki | 979±n/a nM |
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| Citation |  Böhm, M; St rzebecher, J; Klebe, G Three-dimensional quantitative structure-activity relationship analyses using comparative molecular field analysis and comparative molecular similarity indices analysis to elucidate selectivity differences of inhibitors binding to trypsin, thrombin, and factor Xa. J Med Chem42:458-77 (1999) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Serine protease 1 |
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| Name: | Serine protease 1 |
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| Synonyms: | Beta-Trypsin | Cationic trypsin | PRSS1 | TRP1 | TRY1 | TRY1_BOVIN | TRYP1 | Trypsin | Trypsin I |
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| Type: | Enzyme |
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| Mol. Mass.: | 25790.52 |
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| Organism: | Bos taurus (bovine) |
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| Description: | P00760 |
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| Residue: | 246 |
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| Sequence: | MKTFIFLALLGAAVAFPVDDDDKIVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVS
AAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLN
SRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQIT
SNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIK
QTIASN
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| BDBM50472459 |
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| n/a |
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| Name | BDBM50472459 |
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| Synonyms: | CHEMBL348255 |
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| Type | Small organic molecule |
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| Emp. Form. | C30H45N5O5S2 |
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| Mol. Mass. | 619.839 |
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| SMILES | [H][C@@](Cc1cccc(c1)C(N)=N)(NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C)C(=O)N1CCN(CC1)S(C)(=O)=O |
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| Structure | 
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