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Target
Chymotrypsin-C
Ligand
BDBM50111595
Substrate
n/a
Meas. Tech.
ChEMBL_49925 (CHEMBL664294)
IC50
3000±n/a nM
Citation
 McGovern, SL; Caselli, E; Grigorieff, N; Shoichet, BK A common mechanism underlying promiscuous inhibitors from virtual and high-throughput screening. J Med Chem 45:1712-22 (2002) [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:
BDBM50111595
Synonyms:
2,6-Bis-(4-chloro-phenyl)-isonicotinic acid 4-(1-carboxy-3-methyl-butoxy)-phenyl ester | CHEMBL47626
Type:
Small organic molecule
Emp. Form.:
C30H25Cl2NO5
Mol. Mass.:
550.429
SMILES:
CC(C)CC(Oc1ccc(OC(=O)c2cc(nc(c2)-c2ccc(Cl)cc2)-c2ccc(Cl)cc2)cc1)C(O)=O
Structure:
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