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

You can:

GPCR

NameCannabinoid receptor 2
SpeciesRattus norvegicus (Rat)
GeneCnr2
SynonymPeripheral cannabinoid receptor
CB2-R
CB2 receptor
CB2
CB-2
[ Show all ]
DiseaseN/A for non-human GPCRs
Length360
Amino acid sequenceMAGCRELELTNGSNGGLEFNPMKEYMILSDAQQIAVAVLCTLMGLLSALENVAVLYLILSSQRLRRKPSYLFIGSLAGADFLASVIFACNFVIFHVFHGVDSRNIFLLKIGSVTMTFTASVGSLLLTAVDRYLCLCYPPTYKALVTRGRALVALGVMWVLSALISYLPLMGWTCCPSPCSELFPLIPNDYLLGWLLFIAILFSGIIYTYGYVLWKAHQHVASLAEHQDRQVPGIARMRLDVRLAKTLGLVMAVLLICWFPALALMGHSLVTTLSDKVKEAFAFCSMLCLVNSMINPIIYALRSGEIRSAAQHCLTGWKKYLQGLGSEGKEEAPKSSVTETEAEVKTTTGPGSRTPGCSNC
UniProtQ9QZN9
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2470
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL500927
Molecular formulaC19H12ClF4N5O3
IUPAC name3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-cyano-6-(2,2,2-trifluoroethoxy)pyridin-3-yl]propanamide
Molecular weight469.781
Hydrogen bond acceptor11
Hydrogen bond donor1
XlogP3.7
Synonyms3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl)-N-(5-cyano-6-(2,2,2-trifluoroethoxy)pyridin-3-yl)propanamide
BDBM50272344
Inchi KeyAZLFGSQKXKYODE-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H12ClF4N5O3/c20-14-6-11(21)1-2-13(14)17-28-16(32-29-17)4-3-15(30)27-12-5-10(7-25)18(26-8-12)31-9-19(22,23)24/h1-2,5-6,8H,3-4,9H2,(H,27,30)
PubChem CID25034004
ChEMBLCHEMBL500927
IUPHARN/A
BindingDB50272344
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.

Experimental Data

ParameterValueReferenceDatabase source
EC503.1 nMPMID18680277BindingDB,ChEMBL
Emax100.0 %PMID18680277ChEMBL

yangzhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218