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Target
Snake venom metalloproteinase BaP1
Ligand
BDBM50029799
Substrate
n/a
Meas. Tech.
ChEMBL_840308 (CHEMBL2091265)
IC50
70400±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:
BDBM50029799
Synonyms:
7-Methoxy-1-methyl-2,9-dihydro-1H-beta-carboline | 7-Methoxy-1-methyl-4,9-dihydro-3H-beta-carboline | 7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole | CHEMBL2089157 | CHEMBL340807 | HARMALINE
Type:
Small organic molecule
Emp. Form.:
C13H14N2O
Mol. Mass.:
214.2631
SMILES:
COc1ccc2c3CCN=C(C)c3[nH]c2c1 |t:9|
Structure:
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