Zhang Lab

National University of Singapore

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

GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	CHEMBL121258
Molecular formula	C25H43NO2
IUPAC name	(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-17-methyldocosa-5,8,11,14-tetraenamide
Molecular weight	389.624
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	6.7
Synonyms	(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-17-methyldocosa-5,8,11,14-tetraenamide N-(17-methyl-5Z,8Z,11Z,14Z-docosatetraenoyl)-ethanolamine AC1NR2CP (5Z,8Z,11Z,14Z)-17-Methyl-docosa-5,8,11,14-tetraenoic acid (2-hydroxy-ethyl)-amide 17-methyl-5,8,11,14-all-cis-docosatetraenoylethanolamine BDBM50060611 (5Z,8Z,11Z,14Z)-N-(2-Hydroxyethyl)-17-methyl-5,8,11,14-docosatetraenamide LMFA08040027 [ Show all ]
Inchi Key	JBTMRPVMELNRLS-WGTJKWGZSA-N
Inchi ID	InChI=1S/C25H43NO2/c1-3-4-16-19-24(2)20-17-14-12-10-8-6-5-7-9-11-13-15-18-21-25(28)26-22-23-27/h5,7-8,10-11,13-14,17,24,27H,3-4,6,9,12,15-16,18-23H2,1-2H3,(H,26,28)/b7-5-,10-8-,13-11-,17-14-
PubChem CID	5283465
ChEMBL	CHEMBL121258
IUPHAR	N/A
BindingDB	50060611
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
147044	Cannabinoid receptor 1	P47746	Cnr1	Mus musculus (Mouse)	473

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