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

NameG-protein coupled receptor 183
SpeciesMus musculus (Mouse)
GeneGpr183
SynonymGPR183
G protein-coupled receptor 183
Epstein-Barr virus-induced gene 2
Epstein-Barr virus-induced G-protein coupled receptor 2 homolog {ECO:0000250|UniProtKB:P32249}
EBV-induced G-protein coupled receptor 2 homolog {ECO:0000250|UniProtKB:P32249}
[ Show all ]
DiseaseN/A for non-human GPCRs
Length357
Amino acid sequenceMANNFTTPLATSHGNNCDLYAHHSTARVLMPLHYSLVFIIGLVGNLLALVVIVQNRKKINSTTLYSMNLVISDILFTTALPTRIAYYALGFDWRIGDALCRVTALVFYINTYAGVNFMTCLSIDRFFAVVHPLRYNKIKRIEYAKGVCLSVWILVFAQTLPLLLTPMSKEEGDKTTCMEYPNFEGTASLPWILLGACLLGYVLPITVILLCYSQICCKLFRTAKQNPLTEKSGVNKKALNTIILIIVVFILCFTPYHVAIIQHMIKMLCSPGALECGARHSFQISLHFTVCLMNFNCCMDPFIYFFACKGYKRKVMKMLKRQVSVSISSAVRSAPEENSREMTESQMMIHSKASNGR
UniProtQ3U6B2
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3259471
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL3262893
Molecular formulaC23H26N2O3
IUPAC name(E)-1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
Molecular weight378.472
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.4
SynonymsBDBM50011690
(E)-1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
Inchi KeyICVHOHKWQRXBSS-YRNVUSSQSA-N
Inchi IDInChI=1S/C23H26N2O3/c1-17-4-8-20(16-18(17)2)23(27)25-14-12-24(13-15-25)22(26)11-7-19-5-9-21(28-3)10-6-19/h4-11,16H,12-15H2,1-3H3/b11-7+
PubChem CID86579985
ChEMBLCHEMBL3262893
IUPHARN/A
BindingDB50011690
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC5052.0 nMPMID24678947BindingDB,ChEMBL
IC5052.48 nMPMID24678947ChEMBL

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