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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Snake venom metalloproteinase BaP1 | ||
| Ligand | BDBM50420352 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_840308 (CHEMBL2091265) | ||
| IC50 | 216600±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 Lett3:540-543 (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 | VM1B1_BOTAS | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 45929.07 | ||
| Organism: | Bothrops asper | ||
| Description: | ChEMBL_840308 | ||
| Residue: | 408 | ||
| Sequence: |
| ||
| BDBM50420352 | |||
| n/a | |||
| Name | BDBM50420352 | ||
| Synonyms: | CHEMBL2089169 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C23H36N8O4 | ||
| Mol. Mass. | 488.5831 | ||
| SMILES | CC(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 | 
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