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

NameCHEMBL231464
Molecular formulaC29H44O2
IUPAC name(6aR,10aR)-3-(1-heptylcyclohexyl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
Molecular weight424.669
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP9.6
Synonyms(6aR-trans)-3-(1-heptylcyclohexyl)-6a,7,10,10a-tetrahydro-6,6,9-trimethyl-6H-dibenzo[b,d]pyran-1-ol
BDBM50219069
Inchi KeyABRGNAABLFFAJV-DNQXCXABSA-N
Inchi IDInChI=1S/C29H44O2/c1-5-6-7-8-10-15-29(16-11-9-12-17-29)22-19-25(30)27-23-18-21(2)13-14-24(23)28(3,4)31-26(27)20-22/h13,19-20,23-24,30H,5-12,14-18H2,1-4H3/t23-,24-/m1/s1
PubChem CID44427782
ChEMBLCHEMBL231464
IUPHARN/A
BindingDB50219069
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
1096Cannabinoid receptor 1P20272Cnr1Rattus norvegicus (Rat)473
1097Cannabinoid receptor 2P47936Cnr2Mus musculus (Mouse)347

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