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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

NameCHEMBL3339376
Molecular formulaC21H24N2O3
IUPAC name(1S,15R)-5-(cyclopropylmethyl)-13-oxa-5,17-diazahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraene-11,15-diol
Molecular weight352.434
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP1.2
SynonymsBDBM50102835
Inchi KeyBCCHLIMVXZLMOY-MZLSZBLOSA-N
Inchi IDInChI=1S/C21H24N2O3/c24-14-4-3-13-9-15-21-6-5-19(25,11-22-21)18-20(21,16(13)17(14)26-18)7-8-23(15)10-12-1-2-12/h3-4,11-12,15,18,24-25H,1-2,5-10H2/t15?,18?,19-,20?,21-/m1/s1
PubChem CID118716007
ChEMBLCHEMBL3339376
IUPHARN/A
BindingDB50102835
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
442448Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
442450Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
442449Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398

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