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	G-protein coupled receptor 55
Species	Homo sapiens (Human)
Gene	GPR55
Synonym	GPR55
Disease	N/A
Length	319
Amino acid sequence	MSQQNTSGDCLFDGVNELMKTLQFAVHIPTFVLGLLLNLLAIHGFSTFLKNRWPDYAATSIYMINLAVFDLLLVLSLPFKMVLSQVQSPFPSLCTLVECLYFVSMYGSVFTICFISMDRFLAIRYPLLVSHLRSPRKIFGICCTIWVLVWTGSIPIYSFHGKVEKYMCFHNMSDDTWSAKVFFPLEVFGFLLPMGIMGFCCSRSIHILLGRRDHTQDWVQQKACIYSIAASLAVFVVSFLPVHLGFFLQFLVRNSFIVECRAKQSISFFLQLSMCFSNVNCCLDVFCYYFVIKEFRMNIRAHRPSRVQLVLQDTTISRG
UniProt	Q9Y2T6
Protein Data Bank	N/A
GPCR-HGmod model	Q9Y2T6
3D structure model	This predicted structure model is from GPCR-EXP Q9Y2T6.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1075322
IUPHAR	109
DrugBank	BE0005802

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	MolPort-003-850-185 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(1-piperidyl)pyrazole-3-carboxamide Remonabent (TN) Rimonbant AC1L2XM5 S-3507 API0004077 SR-01000884001 Bethin (TN) ST2418566 CHEMBL111 Zimulti (TN) D0O3OS FT-0631194 JZCPYUJPEARBJL-UHFFFAOYSA-N 168273-06-1 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 SCHEMBL38637 B1429 SR-141716 C14319 Tox21_112200 CS-0645 [3H]SR141716A DSSTox_CID_26453 HMS3604M05 L000572 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 AM84578 SMR003500713 BCP07803 SR141716 CHEBI:34967 UNII-RML78EN3XE D05731 DTXSID3046453 I06-0381 143881-EP2287166A2 MLS004774043 Monaslim (TN) 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide 81R131 Rimoslim Acomplia 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- 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) AK-61012 Slimona BBL030198 SR-141716A CAS-168273-06-1 Tox21_112200_1 CTK8E8269 DSSTox_GSID_46453 HMS3657O15 LS-128155 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 RTR-007307 AN-15579 SR 141716 BDBM21278 SR141716A Zimulti D0E0ZR EX-A688 J-010440 143881-EP2292620A2 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) 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- 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) AKOS005266728 Slimona (TN) BC208812 SR141,716A CC-34263 TR-007307 D03IYT DSSTox_RID_81627 HY-14136 143881-EP2287165A2 MCULE-7311256045 [ 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
	N/A	N/A	DrugBank
EC50	280.0 - 5500.0 nM	PMID20136841, PMID21233197	IUPHAR
EC50	2010.0 nM	MedChemComm, (2014) 5:5:632, PMID24900561	BindingDB,ChEMBL

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