Attributes
UniProt ID
Protein Name
Multidrug resistance protein MexB
Ligand Name
[{2-[({[(3R)-1-{8-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-4-oxo-3-[(E)-2-(1H-tetrazol-5-yl)ethenyl]-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidin-3-yl]oxy}carbonyl)amino]ethyl}(dimethyl)ammonio]acetate
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
RVJNIKFVEAWLQC-HXUWFJFHSA-N
SMILES
CC(C)(C)c1csc(n1)NC(=O)C2=CC3=NC(=C(C(=O)N3C=C2)C=Cc4[nH]nnn4)N5CCCC(C5)OC(=O)NCC[N+](C)(C)CC(=O)[O-]
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 3W9J
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Color Legend
Unassigned regionsLigand / hetero atomse3w9jA1e3w9jA2e3w9jA3e3w9jA4e3w9jA5e3w9jA6e3w9jA7e3w9jA8e3w9jB16e3w9jB17e3w9jB18e3w9jB19e3w9jB20e3w9jB21e3w9jB22e3w9jB5e3w9jC16e3w9jC17e3w9jC18e3w9jC19e3w9jC20e3w9jC21e3w9jC22e3w9jC5e3w9jD1e3w9jD2e3w9jD3e3w9jD4e3w9jD5e3w9jD6e3w9jD7e3w9jD8e3w9jE16e3w9jE17e3w9jE18e3w9jE19e3w9jE20e3w9jE21e3w9jE22e3w9jE5e3w9jF16e3w9jF17e3w9jF18e3w9jF19e3w9jF20e3w9jF21e3w9jF22e3w9jF5
ECOD domains from experimental PDB structures interacting with ligand P9D