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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

NameCHEMBL611687
Molecular formulaC20H20N2O2
IUPAC name(1S,2R,10R,18R)-19-methyl-11-oxa-8,19-diazahexacyclo[10.9.1.01,10.02,18.04,9.016,22]docosa-4(9),5,7,12,14,16(22)-hexaen-13-ol
Molecular weight320.392
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.4
SynonymsN/A
Inchi KeyAYGOLJCOJMGZAR-ILWKUFEGSA-N
Inchi IDInChI=1S/C20H20N2O2/c1-22-8-6-20-13-9-12-3-2-7-21-17(12)19(20)24-18-15(23)5-4-11(16(18)20)10-14(13)22/h2-5,7,13-14,19,23H,6,8-10H2,1H3/t13-,14+,19-,20-/m0/s1
PubChem CID11186271
ChEMBLCHEMBL611687
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
17442Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
17444Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
17445Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
17443Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
17440Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
17441Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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