Reaction Details |
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Target | Chymotrypsinogen A |
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Ligand | BDBM1944 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_49921 (CHEMBL664290) |
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IC50 | 225000±n/a nM |
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Citation | Seidler, J; McGovern, SL; Doman, TN; Shoichet, BK Identification and prediction of promiscuous aggregating inhibitors among known drugs. J Med Chem46:4477-86 (2003) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Chymotrypsinogen A |
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Name: | Chymotrypsinogen A |
Synonyms: | Alpha-chymotrypsin | CTRA_BOVIN | Chymotrypsin A | Chymotrypsin A chain A | Chymotrypsin A chain B | Chymotrypsin A chain C | Chymotrypsinogen A | alpha-Chymotrypsin (α-Chymotrypsin) |
Type: | Serine protease |
Mol. Mass.: | 25670.88 |
Organism: | Bos taurus (bovine) |
Description: | n/a |
Residue: | 245 |
Sequence: | CGVPAIQPVLSGLSRIVNGEEAVPGSWPWQVSLQDKTGFHFCGGSLINENWVVTAAHCGV
TTSDVVVAGEFDQGSSSEKIQKLKIAKVFKNSKYNSLTINNDITLLKLSTAASFSQTVSA
VCLPSASDDFAAGTTCVTTGWGLTRYTNANTPDRLQQASLPLLSNTNCKKYWGTKIKDAM
ICAGASGVSSCMGDSGGPLVCKKNGAWTLVGIVSWGSSTCSTSTPGVYARVTALVNWVQQ
TLAAN
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BDBM1944 |
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n/a |
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Name | BDBM1944 |
Synonyms: | BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | Delavirdine | N-[2-({4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl}carbonyl)-1H-indol-5-yl]methanesulfonamide | Rescriptor | U-90152S |
Type | Small organic molecule |
Emp. Form. | C22H28N6O3S |
Mol. Mass. | 456.561 |
SMILES | CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 |
Structure |
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