Reaction Details |
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Target | Serine protease 1 |
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Ligand | BDBM14079 |
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Substrate/Competitor | BDBM14141 |
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Meas. Tech. | Enzyme Inhibition Assay |
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Ki | 2±n/a nM |
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Citation | Costanzo, MJ; Almond, HR; Hecker, LR; Schott, MR; Yabut, SC; Zhang, HC; Andrade-Gordon, P; Corcoran, TW; Giardino, EC; Kauffman, JA; Lewis, JM; de Garavilla, L; Haertlein, BJ; Maryanoff, BE In-depth study of tripeptide-based alpha-ketoheterocycles as inhibitors of thrombin. Effective utilization of the S1' subsite and its implications to structure-based drug design. J Med Chem48:1984-2008 (2005) [PubMed] Article |
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More Info.: | Get all data from this article, Solution Info, Assay Method |
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Serine protease 1 |
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Name: | Serine protease 1 |
Synonyms: | Beta-Trypsin | Cationic trypsin | PRSS1 | TRP1 | TRY1 | TRY1_BOVIN | TRYP1 | Trypsin | Trypsin I |
Type: | Enzyme |
Mol. Mass.: | 25790.52 |
Organism: | Bos taurus (bovine) |
Description: | P00760 |
Residue: | 246 |
Sequence: | MKTFIFLALLGAAVAFPVDDDDKIVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVS
AAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLN
SRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQIT
SNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIK
QTIASN
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BDBM14079 |
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BDBM14141 |
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Name | BDBM14079 |
Synonyms: | (2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-oxopentan-2-yl]-1-[(9-hydroxy-9H-fluoren-9-yl)carbonyl]pyrrolidine-2-carboxamide | 2-ketobenzothiazole 19 |
Type | Small organic molecule |
Emp. Form. | C32H32N6O4S |
Mol. Mass. | 596.699 |
SMILES | [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)C1([#8])c2ccccc2-c2ccccc12)-[#6](=O)-c1nc2ccccc2s1 |r| |
Structure |
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