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Ligand

Name4-{5-[2-(1H-Benzoimidazol-2-yl)-2-cyano-vinyl]-furan-2-yl}-benzoic acid
Molecular formulaC21H13N3O3
IUPAC name4-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]benzoic acid
Molecular weight355.353
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.6
SynonymsBAS 01948546
SCHEMBL12351248
4-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]benzoic acid
HMS1796A20
STK287594
[ Show all ]
Inchi KeyAHBIRSCEARQARK-RVDMUPIBSA-N
Inchi IDInChI=1S/C21H13N3O3/c22-12-15(20-23-17-3-1-2-4-18(17)24-20)11-16-9-10-19(27-16)13-5-7-14(8-6-13)21(25)26/h1-11H,(H,23,24)(H,25,26)/b15-11+
PubChem CID5721447
ChEMBLCHEMBL236615
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
5408Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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