Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetSnake venom metalloproteinase Bap1
LigandBDBM50420352
Substrate/Competitorn/a
Meas. Tech.ChEMBL_840308
IC50 216600±n/a nM
Citation Villalta-Romero FGortat AHerrera AEArguedas RQuesada Jde Melo RLCalvete JJMontero MMurillo RRucavado AGutiérrez JMPérez-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
More Info.:Get all data from this article,  Assay Method
 
Snake venom metalloproteinase Bap1
Name:Snake venom metalloproteinase Bap1
Synonyms:Bap-1 | Hemorrhagic metalloproteinase BaP1 | SVMP
Type:PROTEIN
Mol. Mass.:45929.07
Organism:Bothrops asper
Description:ChEMBL_840308
Residue:408
Sequence:
MIEVLLVTICLAVFPYQGSSIILESGNVNDYEVVYPRKVTELPKGAVQPKYEDAMQYEFK
VNGEPVVLHLEKNKGLFSEDYSETHYSPDGRKIITYPSFEDHCYYHGRIENDADSTASIS
ACNGLKGHFKLQGETYLIEPLKLSDSEAHAVYKYENVEKEDEAPKMCGVTETNWESYEPI
KKASQSNLTPEQQRFSPRYIELAVVADHGIFTKYNSNLNTIRTRVHEMLNTVNGFYRSVD
VHAPLANLEVWSKQDLIKVQKDSSKTLKSFGEWRERDLLPRISHDHAQLLTAVVFDGNTI
GRAYTGGMCDPRHSVGVVRDHSKNNLWVAVTMAHELGHNLGIHHDTGSCSCGAKSCIMAS
VLSKVLSYEFSDCSQNQYETYLTNHNPQCILNKPLLTVSGNELLEAGE
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50420352
n/a
NameBDBM50420352
Synonyms:CHEMBL2089169
TypeSmall organic molecule
Emp. Form.C23H36N8O4
Mol. Mass.488.5831
SMILESCC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NO |r,wU:8.8,23.24,wD:4.4,(35.38,-7.62,;35.4,-6.09,;36.73,-5.32,;34.06,-5.3,;34.08,-3.76,;32.75,-2.98,;31.41,-3.74,;31.4,-5.28,;30.09,-2.96,;28.74,-3.72,;30.1,-1.42,;31.34,-.51,;32.81,-.98,;33.71,.26,;32.8,1.51,;33.12,3.01,;31.98,4.04,;30.52,3.56,;30.2,2.06,;31.34,1.03,;35.42,-3,;35.43,-1.47,;36.75,-3.78,;38.09,-3.03,;38.1,-1.49,;39.44,-.72,;39.45,.81,;40.8,1.57,;40.81,3.11,;39.48,3.9,;42.15,3.88,;39.41,-3.81,;39.4,-5.34,;40.75,-3.05,;40.77,-1.51,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: