Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●D-I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●D-QUARK ●DRfold ●DRfold2 ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●ATGO ●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 ●TCRfinder

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●TM-search ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●DeepMSA2 ●rMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●HPmod ●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:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	Cannabinoid receptor 1
Species	Homo sapiens (Human)
Gene	CNR1
Synonym	CB1 Central cannabinoid receptor SKR6R THC receptor CB1R CANN6 CB1 receptor Neuronal cannabinoid receptor Cann7 CB-R [ Show all ]
Disease	Obesity; Diabetes Chemotherapy-induced nausea Diabetes; Obesity Drug abuse Hypertension; Diabetes; Obesity Insomnia Ischemia Lipid metabolism disorder Metabolic disorders Obesity Type 2 diabetes Schizophrenia Psychotic disorders Postherpetic neuralgia Ovarian cancer Obesity; Metabolic disorders Nicotine dependence; Obesity Neuropathic pain Cerebrovascular ischaemia Central nervous system disease Pain Anorexia Endocrine disease [ Show all ]
Length	472
Amino acid sequence	MKSILDGLADTTFRTITTDLLYVGSNDIQYEDIKGDMASKLGYFPQKFPLTSFRGSPFQEKMTAGDNPQLVPADQVNITEFYNKSLSSFKENEENIQCGENFMDIECFMVLNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFIDFHVFHRKDSRNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCLMWTIAIVIAVLPLLGWNCEKLQSVCSDIFPHIDETYLMFWIGVTSVLLLFIVYAYMYILWKAHSHAVRMIQRGTQKSIIIHTSEDGKVQVTRPDQARMDIRLAKTLVLILVVLIICWGPLLAIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSCEGTAQPLDNSMGDSDCLHKHANNAASVHRAAESCIKSTVKIAKVTMSVSTDTSAEAL
UniProt	P21554
Protein Data Bank	5tjv, 5u09, 5xr8, 5xra, 6n4b, 5tgz
GPCR-HGmod model	P21554
3D structure model	This structure is from PDB ID 5tjv.
BioLiP	BL0384680, BL0364157, BL0384679, BL0384681, BL0384682, BL0384683, BL0384684, BL0440253, BL0440254,BL0440255, BL0363267, BL0361447, BL0361446
Therapeutic Target Database	T76685
ChEMBL	CHEMBL218
IUPHAR	56
DrugBank	BE0000061

Ligand

Name	N-arachidonylglycine
Molecular formula	C22H35NO3
IUPAC name	2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]acetic acid
Molecular weight	361.526
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	5.6
Synonyms	BDBM50056486 FA-029 IDI1_033914 N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-glycine N-[1-Oxo-5Z,8Z,11Z,14Z-eicosatetraenyl]glycine NCGC00015042-07 NCGC00093582-06 SR-01000076205-1 BSPBio_001444 DSSTox_CID_25124 HMS1361I06 Lopac-A-1977 N-arachidonoylglycine, methylene chloride solution NCGC00015042-02 NCGC00015042-10 NCGC00093582-09 ((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoylamino)-acetic acid Tox21_110070_1 ACM179113918 arachidonoylglycine CCG-204169 DTXSID5045124 HMS3402I06 MolPort-003-940-077 NCGC00015042-05 NCGC00093582-04 SCHEMBL158050 2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]acetic acid BML2-C05 CHEMBL161343 Glycine,N-[(5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraen-1-yl]- J-011429 N-arachidonoyl glycine NAGly NCGC00015042-08 NCGC00093582-07 SR-01000076205-5 A 1977 AKOS024456602 C22H35NO3 DSSTox_GSID_45124 HMS1791I06 Lopac0_000074 N-Arachidonyl Glycine NCGC00015042-03 NCGC00015042-11 NSC-746569 179113-91-8 YLEARPUNMCCKMP-DOFZRALJSA-N B6742 CHEBI:58961 EU-0100074 HMS3649B11 N-(1-oxo-5Z,8Z,11Z,14Z-eicosatetraenyl)glycine N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]glycine NCGC00015042-06 NCGC00093582-05 SR-01000076205 BRD-K51557114-001-02-1 D01ZHW GTPL3635 LMFA08020003 N-arachidonoylglycine NCGC00015042-01 NCGC00015042-09 NCGC00093582-08 ((5Z,8Z)-Icosa-5,8,11,14-tetraenoylamino)-acetic acid Tox21_110070 AC1NR26D arachidonoyl glycine CAS-179113-91-8 DSSTox_RID_80688 HMS1989I06 LP00074 N-arachidonyl-L-glycine NCGC00015042-04 NCGC00093582-01 NSC746569 1909AH ZINC4467867 [ Show all ]
Inchi Key	YLEARPUNMCCKMP-DOFZRALJSA-N
Inchi ID	InChI=1S/C22H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)23-20-22(25)26/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3,(H,23,24)(H,25,26)/b7-6-,10-9-,13-12-,16-15-
PubChem CID	5283389
ChEMBL	CHEMBL161343
IUPHAR	3635
BindingDB	50056486
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	43.0 %	MedChemComm, (2014) 5:5:632	ChEMBL
Ki	<10000.0 nM	MedChemComm, (2014) 5:5:632	ChEMBL

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