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Ligand

NameBio3H4
Molecular formulaC13H7F3N6
IUPAC name2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]hydrazinylidene]propanedinitrile
Molecular weight304.236
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.6
SynonymsHMS1662F10
REGID_for_CID_2809268
MCULE-6792425940
AC1MDCT3
ZINC117399
[ Show all ]
Inchi KeyIXSWFOKLLLVEJO-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H7F3N6/c14-13(15,16)12-5-6-22(21-12)11-3-1-9(2-4-11)19-20-10(7-17)8-18/h1-6,19H
PubChem CID2809268
ChEMBLCHEMBL1384771
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: 4
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GLASS IDNameUniProtGeneSpeciesLength
144261Galanin receptor type 3O60755GALR3Homo sapiens (Human)368
144260Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
144258Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
144259Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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