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
SpeciesHomo sapiens (Human)
GeneGPR183
SynonymEBI2 {ECO:0000303|PubMed:8383238}
lymphocyte-specific G protein-coupled receptor
hEBI2 {ECO:0000303|PubMed:22875855}
GPR183
G protein-coupled receptor 183
[ Show all ]
DiseaseN/A
Length361
Amino acid sequenceMDIQMANNFTPPSATPQGNDCDLYAHHSTARIVMPLHYSLVFIIGLVGNLLALVVIVQNRKKINSTTLYSTNLVISDILFTTALPTRIAYYAMGFDWRIGDALCRITALVFYINTYAGVNFMTCLSIDRFIAVVHPLRYNKIKRIEHAKGVCIFVWILVFAQTLPLLINPMSKQEAERITCMEYPNFEETKSLPWILLGACFIGYVLPLIIILICYSQICCKLFRTAKQNPLTEKSGVNKKALNTIILIIVVFVLCFTPYHVAIIQHMIKKLRFSNFLECSQRHSFQISLHFTVCLMNFNCCMDPFIYFFACKGYKRKVMRMLKRQVSVSISSAVKSAPEENSREMTETQMMIHSKSSNGK
UniProtP32249
Protein Data BankN/A
GPCR-HGmod modelP32249
3D structure modelThis predicted structure model is from GPCR-EXP P32249.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3259470
IUPHAR81
DrugBankN/A

Ligand

NameCHEMBL3560453
Molecular formulaC21H18BrN3O2
IUPAC name4-[4-[(E)-3-(4-bromophenyl)prop-2-enoyl]piperazine-1-carbonyl]benzonitrile
Molecular weight424.298
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.1
SynonymsSBI-0646761.0001
SCHEMBL16598956
SCHEMBL16598957
Inchi KeyOFDBXORHRZEUNR-BJMVGYQFSA-N
Inchi IDInChI=1S/C21H18BrN3O2/c22-19-8-3-16(4-9-19)5-10-20(26)24-11-13-25(14-12-24)21(27)18-6-1-17(15-23)2-7-18/h1-10H,11-14H2/b10-5+
PubChem CID73330424
ChEMBLCHEMBL3560453
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC501.74 nMPubChem BioAssay data setChEMBL

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