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Target
Snake venom metalloproteinase BaP1
Ligand
BDBM50292332
Substrate
n/a
Meas. Tech.
ChEMBL_840308 (CHEMBL2091265)
IC50
93300±n/a nM
Citation
 Villalta-Romero, F; Gortat, A; Herrera, AE; Arguedas, R; Quesada, J; de Melo, RL; Calvete, JJ; Montero, M; Murillo, R; Rucavado, A; Gutiérrez, JM; Pérez-Payá, E Identification of new snake venom metalloproteinase inhibitors using compound screening and rational Peptide design. ACS Med Chem Lett 3:540-543 (2012) [PubMed]  Article
Target
Name:
Snake venom metalloproteinase BaP1
Synonyms:
Bap-1 | Hemorrhagic metalloproteinase BaP1 | SVMP | VM1B1_BOTAS
Type:
PROTEIN
Mol. Mass.:
45929.07
Organism:
Bothrops asper
Description:
ChEMBL_840308
Residue:
408
Sequence:
MIEVLLVTICLAVFPYQGSSIILESGNVNDYEVVYPRKVTELPKGAVQPKYEDAMQYEFKVNGEPVVLHLEKNKGLFSEDYSETHYSPDGRKIITYPSFEDHCYYHGRIENDADSTASISACNGLKGHFKLQGETYLIEPLKLSDSEAHAVYKYENVEKEDEAPKMCGVTETNWESYEPIKKASQSNLTPEQQRFSPRYIELAVVADHGIFTKYNSNLNTIRTRVHEMLNTVNGFYRSVDVHAPLANLEVWSKQDLIKVQKDSSKTLKSFGEWRERDLLPRISHDHAQLLTAVVFDGNTIGRAYTGGMCDPRHSVGVVRDHSKNNLWVAVTMAHELGHNLGIHHDTGSCSCGAKSCIMASVLSKVLSYEFSDCSQNQYETYLTNHNPQCILNKPLLTVSGNELLEAGE
  
Inhibitor
Name:
BDBM50292332
Synonyms:
2,3,9,10-Tetramethoxy-5,6-dihydro-isoquino[3,2-a]isoquinolinylium; chloride | 2,3,9,10-tetramethoxy-5,6-dihydro-isoquino[3,2-a]isoquinolinylium | CHEMBL1270849 | CHEMBL2163795 | CHEMBL274189 | GNF-Pf-4086 | PALMATINE
Type:
Small organic molecule
Emp. Form.:
C21H22NO4
Mol. Mass.:
352.4031
SMILES:
COc1cc2CC[n+]3cc4c(OC)c(OC)ccc4cc3-c2cc1OC
Structure:
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