| Reaction Details |
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 | Report a problem with these data |
| Target | Serine protease 1 |
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| Ligand | BDBM12596 |
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| Substrate/Competitor | BDBM12500 |
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| Meas. Tech. | Enzyme Assay and Determination of the Inhibition Constants. |
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| pH | 7.5±n/a |
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| Temperature | 295.15±n/a K |
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| Ki | >2900±n/a nM |
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| Citation |  Maignan, S; Guilloteau, JP; Choi-Sledeski, YM; Becker, MR; Ewing, WR; Pauls, HW; Spada, AP; Mikol, V Molecular structures of human factor Xa complexed with ketopiperazine inhibitors: preference for a neutral group in the S1 pocket. J Med Chem46:685-90 (2003) [PubMed] Article |
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| More Info.: | Get all data from this article, Inhibition_Run data, Solution Info, 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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| BDBM12596 |
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| BDBM12500 |
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| Name | BDBM12596 |
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| Synonyms: | 4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-1-(1H-PYRROLO[3,2-C]PYRIDIN-2-YLMETHYL)PIPERAZIN-2-ONE | 4-{[(E)-2-(5-chlorothiophen-2-yl)ethene]sulfonyl}-1-{1H-pyrrolo[3,2-c]pyridin-2-ylmethyl}piperazin-2-one | CHEMBL423417 | Ketopiperazine | RPR209685 |
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| Type | Small organic molecule |
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| Emp. Form. | C18H17ClN4O3S2 |
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| Mol. Mass. | 436.936 |
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| SMILES | Clc1ccc(C=CS(=O)(=O)N2CCN(Cc3cc4cnccc4[nH]3)C(=O)C2)s1 |w:5.4| |
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| Structure | 
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