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Attributes

UniProt ID
Protein Name
Snake venom metalloproteinase BaP1
Ligand Name
(2R,3R)-N^1^-[(1S)-2,2-DIMETHYL-1-(METHYLCARBAMOYL)PROPYL]-N^4^-HYDROXY-2-(2-METHYLPROPYL)-3-{[(1,3-THIAZOL-2-YLCARBONYL)AMINO]METHYL}BUTANEDIAMIDE
DrugBank ID
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
GAHIXYNNFMCKFQ-HZSPNIEDSA-N
SMILES
CC(C)CC(C(CNC(=O)c1nccs1)C(=O)NO)C(=O)NC(C(=O)NC)C(C)(C)C
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 2W12
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Color Legend
Unassigned regionsLigand / hetero atomse2w12A1
ECOD domains from experimental PDB structures interacting with ligand DB08733
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P83512DB08733WR22w12e2w12A1A:1-202
P83512DB08733WR22w13e2w13A1A:1-202
P83512DB08733WR22w14e2w14A1A:1-202
P83512DB08733WR22w15e2w15A1A:1-202