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

NameCHEMBL460306
Molecular formulaC29H43NO2
IUPAC name(5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-20-phenylicosa-5,8,11,14-tetraenamide
Molecular weight437.668
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP7.2
SynonymsBDBM50247084
(R,5Z,8Z,11Z,14Z)-N-(1-hydroxypropan-2-yl)-20-phenylicosa-5,8,11,14-tetraenamide
Inchi KeyDFLULNJNYNQBPP-YGMZKKJISA-N
Inchi IDInChI=1S/C29H43NO2/c1-27(26-31)30-29(32)25-21-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-18-22-28-23-19-17-20-24-28/h2-3,6-9,12,14,17,19-20,23-24,27,31H,4-5,10-11,13,15-16,18,21-22,25-26H2,1H3,(H,30,32)/b3-2-,8-6-,9-7-,14-12-/t27-/m1/s1
PubChem CID44563679
ChEMBLCHEMBL460306
IUPHARN/A
BindingDB50247084
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
58680Cannabinoid receptor 1P20272Cnr1Rattus norvegicus (Rat)473
58679Cannabinoid receptor 2P47936Cnr2Mus musculus (Mouse)347

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