Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

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

You can:

Ligand

NameCHEMBL205685
Molecular formulaC23H26O2
IUPAC name5-(4-methylphenyl)-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene-1,3-diol
Molecular weight334.459
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP6.1
SynonymsBDBM50179979
4-((1R,6R)-6-isopropenyl-3-methyl-cyclohex-2-enyl)-4''-methyl-biphenyl-3,5-diol
Inchi KeyBBINOZROCFCGOR-VQTJNVASSA-N
Inchi IDInChI=1S/C23H26O2/c1-14(2)19-10-7-16(4)11-20(19)23-21(24)12-18(13-22(23)25)17-8-5-15(3)6-9-17/h5-6,8-9,11-13,19-20,24-25H,1,7,10H2,2-4H3/t19-,20+/m0/s1
PubChem CID44409296
ChEMBLCHEMBL205685
IUPHARN/A
BindingDB50179979
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
19522Cannabinoid receptor 1P20272Cnr1Rattus norvegicus (Rat)473
19521Cannabinoid receptor 2P47936Cnr2Mus musculus (Mouse)347

yangzhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218