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:

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	Mus musculus (Mouse)
Gene	Cnr1
Synonym	SKR6R Neuronal cannabinoid receptor Central cannabinoid receptor CB1R CB1 receptor CB1 CB-R Cann7 Cann6 Brain-type cannabinoid receptor THC receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	473
Amino acid sequence	MKSILDGLADTTFRTITTDLLYVGSNDIQYEDIKGDMASKLGYFPQKFPLTSFRGSPFQEKMTAGDNSPLVPAGDTTNITEFYNKSLSSFKENEDNIQCGENFMDMECFMILNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFVDFHVFHRKDSPNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCLMWTIAIVIAVLPLLGWNCKKLQSVCSDIFPLIDETYLMFWIGVTSVLLLFIVYAYMYILWKAHSHAVRMIQRGTQKSIIIHTSEDGKVQVTRPDQARMDIRLAKTLVLILVVLIICWGPLLAIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSCEGTAQPLDNSMGDSDCLHKHANNTASMHRAAESCIKSTVKIAKVTMSVSTDTSAEAL
UniProt	P47746
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3037
IUPHAR	56
DrugBank	N/A

Ligand

Name	1-Pentyl-3-(1-naphthoyl)indole
Molecular formula	C24H23NO
IUPAC name	naphthalen-1-yl-(1-pentylindol-3-yl)methanone
Molecular weight	341.454
Hydrogen bond acceptor	1
Hydrogen bond donor	0
XlogP	6.3
Synonyms	BR-31879 DS-3151 JDNLPKCAXICMBW-UHFFFAOYSA-N JWH018 QC-9204 ZINC13476531 1-Pentyl-3-(1-naphthoyl) indole AM 678 ANW-47312 CHEMBL561013 G391998J57 JWH-018 ((Naphthalen-1-yl)(1-pentylindol-3-yl)methanone) Naphthalen-1-yl-(1-pentyl-1H-indol-3-yl)-methanone S-5674 1-Pentyl-3-(1-naphthoyl)indoleJWH 018 AB0023351 BCP27424 DB-003103 HSDB 7998 JWH-018 solution, 100 mug/mL in methanol, ampule of 1 mL, (Spice Cannabinoid), certified reference material PubChem14828 UNII-G391998J57 1-Naphthyl-(1-pentylindol-3-yl)methanone 3-(naphthalene-1-carbonyl)-1-pentyl-1H-indole AJ-63880 CCG-208715 DTXSID10175117 JWH 018 Methanone, 1-naphthalenyl(1-pentyl-1H-indol-3-yl)- RD-0094 1-pentyl-3-(1-naphthoyl)-indole AM-678 API0024564 CJ-14392 GTPL9706 JWH-018 ((Naphthalen-1-yl)(1-pentylindol-3-yl)methanone) 0.1 mg/ml in Acetonitrile Naphthalen-1-yl-(1-pentylindol-3-yl)methanone SCHEMBL1707018 (1-Pentyl-1H-indol-3-yl)-1-naphthalenylmethanone 1-pentyl-3-1-naphthoyl-indole AB1010094 BDBM50353747 DEA No. 7118 I01-5097 JWH-018,1-Ii>>u-3-(1-YA(1/4)xo pound>>u)ssAssa Q-200132 W4386 1-Naphthyl-(1-pentylindol-3-yl)methanone; JWH-018 414P073 AKOS005145577 FT-0645403 JWH-018 naphthalen-1-yl(1-pentyl-1H-indol-3-yl)methanone RTC-064464 A4549 AN-11379 BC652259 CTK3J6553 HIN1319 JWH-018 ((Naphthalen-1-yl)(1-pentylindol-3-yl)methanone) 1.0 mg/ml in Acetonitrile NCGC00386566-01 TC-064464 1-Naphthalenyl(1-pentyl-1H-indol-3-yl)methanone 209414-07-3 ACT06673 [ Show all ]
Inchi Key	JDNLPKCAXICMBW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H23NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h4-7,9-15,17H,2-3,8,16H2,1H3
PubChem CID	10382701
ChEMBL	CHEMBL561013
IUPHAR	9706
BindingDB	50353747
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
Ki	1.3 nM	PMID22904561	BindingDB,ChEMBL

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