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

NameCHEMBL274016
Molecular formulaC23H37NO
IUPAC name(5Z,8Z,11Z,14Z)-N-prop-2-enylicosa-5,8,11,14-tetraenamide
Molecular weight343.555
Hydrogen bond acceptor1
Hydrogen bond donor1
XlogP6.7
Synonyms(5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid allylamide
BDBM50072763
SCHEMBL5374869
(5Z,8Z,11Z,14Z)-N-Allyl-5,8,11,14-icosatetrenamide
Inchi KeyAWKMZCWRZDFTOY-GKFVBPDJSA-N
Inchi IDInChI=1S/C23H37NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)24-22-4-2/h4,8-9,11-12,14-15,17-18H,2-3,5-7,10,13,16,19-22H2,1H3,(H,24,25)/b9-8-,12-11-,15-14-,18-17-
PubChem CID10569413
ChEMBLCHEMBL274016
IUPHARN/A
BindingDB50072763
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
16124Cannabinoid receptor 1P20272Cnr1Rattus norvegicus (Rat)473
16125Cannabinoid receptor 2P47936Cnr2Mus musculus (Mouse)347

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417