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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

NameCHEMBL313714
Molecular formulaC26H31FN6O
IUPAC name(2R)-2-(4-fluorophenyl)-2-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]amino]ethanol
Molecular weight462.573
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.9
SynonymsL-772405
L 772405
L-772,405
D01HRV
GTPL16
[ Show all ]
Inchi KeyHNKDAQNYMJNLCC-SANMLTNESA-N
Inchi IDInChI=1S/C26H31FN6O/c27-21-5-3-19(4-6-21)26(16-34)31-22-9-12-32(13-10-22)11-1-2-20-15-28-25-8-7-23(14-24(20)25)33-17-29-30-18-33/h3-8,14-15,17-18,22,26,28,31,34H,1-2,9-13,16H2/t26-/m0/s1
PubChem CID9847194
ChEMBLCHEMBL313714
IUPHAR16
BindingDB50060429
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: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1194445-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
1194435-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
1194395-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
1194455-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
1194425-hydroxytryptamine receptor 1FP30939HTR1FHomo sapiens (Human)366
1194415-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
1194405-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
1194465-hydroxytryptamine receptor 6P31388Htr6Rattus norvegicus (Rat)436
1194475-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448

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