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Target
Beta-lactamase
Ligand
BDBM1944
Substrate
n/a
Meas. Tech.
ChEMBL_40567 (CHEMBL651415)
IC50
90000±n/a nM
Citation
 Seidler, J; McGovern, SL; Doman, TN; Shoichet, BK Identification and prediction of promiscuous aggregating inhibitors among known drugs. J Med Chem 46:4477-86 (2003) [PubMed]  Article 
Target
Name:
Beta-lactamase
Synonyms:
AMPC_ECOLI | Beta-lactamase | Beta-lactamase (AmpC) | Beta-lactamase AmpC | Cephalosporinase | Escherichia coli K-12 | ampA | ampC
Type:
Protien
Mol. Mass.:
41561.62
Organism:
Escherichia coli
Description:
P00811
Residue:
377
Sequence:
MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ
  
Inhibitor
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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