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

NameCHEMBL1305842
Molecular formulaC20H21ClN2O3
IUPAC name1-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-phenylethanone
Molecular weight372.849
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP2.9
Synonyms2-(4-chlorophenoxy)-1-[4-(2-phenylacetyl)tetrahydro-1-pyrazinyl]-1-ethanone
Oprea1_016284
AC1LLRD1
HMS2331B03
ZINC779562
[ Show all ]
Inchi KeyXUWONGFKJGXWMM-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H21ClN2O3/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 CID1072066
ChEMBLCHEMBL1305842
IUPHARN/A
BindingDB50011718
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50977.0 nMPMID24678947BindingDB
IC50977.24 nMPMID24678947ChEMBL
IC50979.0 nMPMID24678947ChEMBL

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