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	N-arachidonyl glycine receptor
Species	Homo sapiens (Human)
Gene	GPR18
Synonym	GPCRW G-protein coupled receptor 18 N-arachidonoyol glycine receptor NAGly receptor GPR18
Disease	N/A
Length	331
Amino acid sequence	MITLNNQDQPVPFNSSHPDEYKIAALVFYSCIFIIGLFVNITALWVFSCTTKKRTTVTIYMMNVALVDLIFIMTLPFRMFYYAKDEWPFGEYFCQILGALTVFYPSIALWLLAFISADRYMAIVQPKYAKELKNTCKAVLACVGVWIMTLTTTTPLLLLYKDPDKDSTPATCLKISDIIYLKAVNVLNLTRLTFFFLIPLFIMIGCYLVIIHNLLHGRTSKLKPKVKEKSIRIIITLLVQVLVCFMPFHICFAFLMLGTGENSYNPWGAFTTFLMNLSTCLDVILYYIVSKQFQARVISVMLYRNYLRSMRRKSFRSGSLRSLSNINSEML
UniProt	Q14330
Protein Data Bank	N/A
GPCR-HGmod model	Q14330
3D structure model	This predicted structure model is from GPCR-EXP Q14330.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2384898
IUPHAR	89
DrugBank	BE0002304

Ligand

Name	Rimonabant
Molecular formula	C22H21Cl3N4O
IUPAC name	5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
Molecular weight	463.787
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	6.5
Synonyms	AM84578 SMR003500713 BCP07803 SR141716 CHEBI:34967 UNII-RML78EN3XE D05731 DTXSID3046453 I06-0381 143881-EP2287166A2 MLS004774043 5-(4-CHLOROPHENYL)-1-(2,4-DICHLOROPHENYL)-4-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID PIPERIDIN-1-YLAMIDE NCGC00164572-02 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-n-piperidinopyrazole-3-carboxamide Rimonabant [USAN:INN] AC-163720 RML78EN3XE s3021 AS-37280 SR-01000884001-1 BR-61012 STK642500 CJ-05280 ZINC1540228 GP8358 KB-12498 1H-Pyrazole-3-carboxamide, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-1-piperidinyl- Monaslim (TN) 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide 81R131 Rimoslim Acomplia AK-61012 Slimona BBL030198 SR-141716A CAS-168273-06-1 Tox21_112200_1 CTK8E8269 DSSTox_GSID_46453 HMS3657O15 LS-128155 4CH-015711 N-piperidino-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-pyrazolecarboxamide 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide Rimonabant - from sample AB0056959 Riobant (TN) RTR-007307 AN-15579 SR 141716 BDBM21278 SR141716A Zimulti D0E0ZR EX-A688 J-010440 143881-EP2292620A2 MLS006011772 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(1-piperidinyl)-3-pyrazolecarboxamide PYR405 5-(p-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidinopyrazole-3-carboxamide Rimonabant(SR141716) AC-731 SB19549 AY6 SR-14171 C-22624 SW220167-1 CJ-24303 [3H]RIMONABANT DB06155 GTPL743 KS-00000NTG 1H-Pyrazole-3-carboxamide,5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-1-piperidinyl- N-(piperidin-1-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide 5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-1-piperidinyl-1H-pyrazole-3-carboxamide Rimonabant (JAN/USAN/INN) A 281 Rimoslim (TN) Acomplia (TN) AKOS005266728 Slimona (TN) BC208812 SR141,716A CC-34263 TR-007307 D03IYT DSSTox_RID_81627 HY-14136 143881-EP2287165A2 MCULE-7311256045 5-(4-Chlorophenyl)-1-(2,4-dichloro-phenyl)-4-methyl-1H-pyrazole-3-carboxylic acid piperidin-1-ylamide NCGC00164572-01 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidino-1H-pyrazole-3-carboxamide Rimonabant [USAN:INN:JAN] AB01566860_01 Riomont (TN) S-3507 API0004077 SR-01000884001 Bethin (TN) ST2418566 CHEMBL111 Zimulti (TN) D0O3OS FT-0631194 JZCPYUJPEARBJL-UHFFFAOYSA-N 168273-06-1 MolPort-003-850-185 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(1-piperidyl)pyrazole-3-carboxamide Remonabent (TN) Rimonbant AC1L2XM5 SCHEMBL38637 B1429 SR-141716 C14319 Tox21_112200 CS-0645 [3H]SR141716A DSSTox_CID_26453 HMS3604M05 L000572 N-piperidino-5-(4-chlorophenyl)-1(2,4-dichlorophenyl)-4-methyl-pyrazole-3-carboxamide 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-pyrazole-3-carboxamide Rimonabant (SR141716) A810956 Riobant AJ-26840 [ Show all ]
Inchi Key	JZCPYUJPEARBJL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
PubChem CID	104850
ChEMBL	CHEMBL111
IUPHAR	743
BindingDB	21278
DrugBank	DB06155
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
EC50	10100.0 nM	MedChemComm, (2014) 5:5:632	ChEMBL
IC50	10100.0 nM	PMID23679955	BindingDB,ChEMBL

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