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

NameCHEMBL1210701
Molecular formulaC28H29Cl3N4O3
IUPAC name1-[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-methylpyrrole-2-carbonyl]-4-morpholin-4-ylpiperidine-4-carboxamide
Molecular weight575.915
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.6
SynonymsBDBM50323008
1-(5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-methyl-1H-pyrrole-2-carbonyl)-4-morpholinopiperidine-4-carboxamide
Inchi KeyBNPSKGKNVULNAV-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H29Cl3N4O3/c1-33-24(26(36)34-10-8-28(9-11-34,27(32)37)35-12-14-38-15-13-35)17-22(21-7-6-20(30)16-23(21)31)25(33)18-2-4-19(29)5-3-18/h2-7,16-17H,8-15H2,1H3,(H2,32,37)
PubChem CID49863214
ChEMBLCHEMBL1210701
IUPHARN/A
BindingDB50323008
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Inhibition42.0 %PMID20584609ChEMBL

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