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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameCHEMBL3774861
Molecular formulaC26H25N5O
IUPAC name4-[2-[(1R,3R)-1-(oxan-4-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]-1H-imidazol-5-yl]benzonitrile
Molecular weight423.52
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP3.2
SynonymsBDBM50154553
Inchi KeyBIHQLYLNIKBFJX-ISKFKSNPSA-N
Inchi IDInChI=1S/C26H25N5O/c27-14-16-5-7-17(8-6-16)23-15-28-26(31-23)22-13-20-19-3-1-2-4-21(19)29-25(20)24(30-22)18-9-11-32-12-10-18/h1-8,15,18,22,24,29-30H,9-13H2,(H,28,31)/t22-,24-/m1/s1
PubChem CID127031455
ChEMBLCHEMBL3774861
IUPHARN/A
BindingDB50154553
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
522303Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418

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