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 DMFold 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

NameCHEMBL151717
Molecular formulaC24H39NO3
IUPAC name[2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]amino]-2-oxoethyl] acetate
Molecular weight389.58
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP6.4
SynonymsBDBM50072770
N-[(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatetrene-1-yl]-2-acetoxyacetamide
SCHEMBL5378174
Acetic acid ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl)carbamoylmethyl ester
Inchi KeyDWXJVUKDOLXSRK-ZKWNWVNESA-N
Inchi IDInChI=1S/C24H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-24(27)22-28-23(2)26/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-22H2,1-2H3,(H,25,27)/b8-7-,11-10-,14-13-,17-16-
PubChem CID10715387
ChEMBLCHEMBL151717
IUPHARN/A
BindingDB50072770
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
71032Cannabinoid receptor 1P20272Cnr1Rattus norvegicus (Rat)473
71033Cannabinoid receptor 2P47936Cnr2Mus musculus (Mouse)347

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