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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

NameSCHEMBL6933222
Molecular formulaC27H37N3O3
IUPAC nameN-(2-methoxyphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexanecarboxamide
Molecular weight451.611
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.9
SynonymsBDBM86709
Rec 27/0074
Inchi KeyQQLBAAQRZXVWPZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H37N3O3/c1-32-25-14-8-6-12-23(25)29-19-16-28(17-20-29)18-21-30(24-13-7-9-15-26(24)33-2)27(31)22-10-4-3-5-11-22/h6-9,12-15,22H,3-5,10-11,16-21H2,1-2H3
PubChem CID9868460
ChEMBLN/A
IUPHARN/A
BindingDB86709
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2844625-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
556586Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
284459Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
284460Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
284461Alpha-2C adrenergic receptorP22086Adra2cRattus norvegicus (Rat)458
556587D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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