Reaction Details |
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Target | Chymotrypsin-C |
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Ligand | BDBM50369776 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_49925 (CHEMBL664294) |
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IC50 | 9000±n/a nM |
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Citation | McGovern, SL; Caselli, E; Grigorieff, N; Shoichet, BK A common mechanism underlying promiscuous inhibitors from virtual and high-throughput screening. J Med Chem45:1712-22 (2002) [PubMed] |
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More Info.: | Get all data from this article, Assay Method |
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Chymotrypsin-C |
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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: | MLGITVLAALLACASSCGVPSFPPNLSARVVGGEDARPHSWPWQISLQYLKNDTWRHTCG
GTLIASNFVLTAAHCISNTRTYRVAVGKNNLEVEDEEGSLFVGVDTIHVHKRWNALLLRN
DIALIKLAEHVELSDTIQVACLPEKDSLLPKDYPCYVTGWGRLWTNGPIADKLQQGLQPV
VDHATCSRIDWWGFRVKKTMVCAGGDGVISACNGDSGGPLNCQLENGSWEVFGIVSFGSR
RGCNTRKKPVVYTRVSAYIDWINEKMQL
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BDBM50369776 |
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n/a |
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Name | BDBM50369776 |
Synonyms: | CHEMBL298301 |
Type | Small organic molecule |
Emp. Form. | C15H6Cl6N4O6 |
Mol. Mass. | 550.949 |
SMILES | [O-][N+](=O)c1ccc(NN2C(=O)C3C(C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(Cl)Cl)c(c1)[N+]([O-])=O |t:19,TLB:9:11:23:19.17,20:19:23:11.12,THB:13:12:23:19.17,18:17:23:11.12| |
Structure |
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