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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 CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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Ligand

NameCHEMBL2204939
Molecular formulaC28H25FN8
IUPAC name(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1,1-bis(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indole
Molecular weight492.562
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP2.8
SynonymsBDBM50400524
Inchi KeyHPOMENOMMOWITC-XMMPIXPASA-N
Inchi IDInChI=1S/C28H25FN8/c1-36-15-18(12-31-36)28(19-13-32-37(2)16-19)26-22(21-5-3-4-6-23(21)33-26)11-24(35-28)27-30-14-25(34-27)17-7-9-20(29)10-8-17/h3-10,12-16,24,33,35H,11H2,1-2H3,(H,30,34)/t24-/m1/s1
PubChem CID71459516
ChEMBLCHEMBL2204939
IUPHARN/A
BindingDB50400524
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
120863Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
120864Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418

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