Reaction Details Report a problem with these data
Target
Chymotrypsin-C
Ligand
BDBM87060
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
pH
7.6±0
Temperature
298.15±0 K
Ki
4.711e+4± 7.2e+2 nM
Citation
 Arif Lodhi, M; Iqbal Choudhary, M; Malik, A; Ahmad, S alpha-Chymotrypsin inhibition studies on the lignans from Vitex negundo Linn. J Enzyme Inhib Med Chem 23:400-5 (2008) [PubMed]  Article 
Target
Name:
Chymotrypsin-C
Synonyms:
CLCR | CTRC | CTRC_HUMAN | Caldecrin | Chymotrypsin | Chymotrypsin C | Chymotrypsin-C
Type:
Enzyme
Mol. Mass.:
29487.98
Organism:
Homo sapiens (Human)
Description:
Q99895
Residue:
268
Sequence:
MLGITVLAALLACASSCGVPSFPPNLSARVVGGEDARPHSWPWQISLQYLKNDTWRHTCGGTLIASNFVLTAAHCISNTRTYRVAVGKNNLEVEDEEGSLFVGVDTIHVHKRWNALLLRNDIALIKLAEHVELSDTIQVACLPEKDSLLPKDYPCYVTGWGRLWTNGPIADKLQQGLQPVVDHATCSRIDWWGFRVKKTMVCAGGDGVISACNGDSGGPLNCQLENGSWEVFGIVSFGSRRGCNTRKKPVVYTRVSAYIDWINEKMQL
  
Inhibitor
Name:
BDBM87060
Synonyms:
Lignan, 4 | MLS001138823 | N-(4-methylcyclohexyl)-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide | N-(4-methylcyclohexyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide | N-(4-methylcyclohexyl)-3-(4-methylpiperazino)sulfonyl-benzamide | N-(4-methylcyclohexyl)-3-[(4-methyl-1-piperazinyl)sulfonyl]benzamide | SMR000715032 | cid_24983123
Type:
Small organic molecule
Emp. Form.:
C19H29N3O3S
Mol. Mass.:
379.517
SMILES:
CC1CCC(CC1)NC(=O)c1cccc(c1)S(=O)(=O)N1CCN(C)CC1 |(3.08,-7.7,;4.41,-6.93,;5.75,-7.7,;7.08,-6.93,;7.08,-5.39,;5.75,-4.62,;4.41,-5.39,;8.41,-4.62,;8.41,-3.08,;7.08,-2.31,;9.75,-2.31,;11.08,-3.08,;12.42,-2.31,;12.42,-.77,;11.08,,;9.75,-.77,;11.08,1.54,;12.62,1.54,;9.54,1.54,;11.08,3.08,;12.42,3.85,;12.42,5.39,;11.08,6.16,;11.08,7.7,;9.75,5.39,;9.75,3.85,)|
Structure:
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