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Target
Snake venom metalloproteinase BaP1
Ligand
BDBM50420344
Substrate
n/a
Meas. Tech.
ChEMBL_840308 (CHEMBL2091265)
IC50
4600±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:
BDBM50420344
Synonyms:
CHEMBL2089172
Type:
Small organic molecule
Emp. Form.:
C21H35N7O4
Mol. Mass.:
449.5471
SMILES:
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#8] |r|
Structure:
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