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Target
Snake venom metalloproteinase BaP1
Ligand
BDBM50063918
Substrate
n/a
Meas. Tech.
ChEMBL_840308 (CHEMBL2091265)
IC50
1200±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:
BDBM50063918
Synonyms:
(2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methylcarbamoyl-2-phenyl-ethyl)-3-(thiophen-2-ylsulfanylmethyl)-succinamide | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE | 4-Methyl-2-[1-methyl-2-(thiophen-2-ylsulfanyl)-ethyl]-pentanoic acid (1-methylcarbamoyl-2-phenyl-ethyl)-amide | BATIMASTAT | BB-94 | CHEMBL279786 | N*4*-Hydroxy-2-isobutyl-N*1*-(1-methylcarbamoyl-2-phenyl-ethyl)-3-(thiophen-2-ylsulfanylmethyl)-succinamide
Type:
Small organic molecule
Emp. Form.:
C23H31N3O4S2
Mol. Mass.:
477.64
SMILES:
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO
Structure:
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