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

NameCHEMBL3262877
Molecular formulaC20H21BrN2O3
IUPAC name1-[4-[2-(4-bromophenoxy)acetyl]piperazin-1-yl]-2-phenylethanone
Molecular weight417.303
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.0
SynonymsBDBM50011719
1-[4-[2-(4-bromophenoxy)acetyl]piperazin-1-yl]-2-phenyl-ethanone
Inchi KeyVBUQDQIXFCMDEH-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H21BrN2O3/c21-17-6-8-18(9-7-17)26-15-20(25)23-12-10-22(11-13-23)19(24)14-16-4-2-1-3-5-16/h1-9H,10-15H2
PubChem CID86580332
ChEMBLCHEMBL3262877
IUPHARN/A
BindingDB50011719
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5028.0 nMPMID24678947BindingDB,ChEMBL
IC5028.18 nMPMID24678947ChEMBL

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