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 6
SpeciesHomo sapiens (Human)
GeneGPR6
SynonymGPR6
Sphingosine 1-phosphate receptor GPR6
DiseaseN/A
Length362
Amino acid sequenceMNASAASLNDSQVVVVAAEGAAAAATAAGGPDTGEWGPPAAAALGAGGGANGSLELSSQLSAGPPGLLLPAVNPWDVLLCVSGTVIAGENALVVALIASTPALRTPMFVLVGSLATADLLAGCGLILHFVFQYLVPSETVSLLTVGFLVASFAASVSSLLAITVDRYLSLYNALTYYSRRTLLGVHLLLAATWTVSLGLGLLPVLGWNCLAERAACSVVRPLARSHVALLSAAFFMVFGIMLHLYVRICQVVWRHAHQIALQQHCLAPPHLAATRKGVGTLAVVLGTFGASWLPFAIYCVVGSHEDPAVYTYATLLPATYNSMINPIIYAFRNQEIQRALWLLLCGCFQSKVPFRSRSPSEV
UniProtP46095
Protein Data BankN/A
GPCR-HGmod modelP46095
3D structure modelThis predicted structure model is from GPCR-EXP P46095.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3714130
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL3716246
Molecular formulaC28H28F6N6O3
IUPAC nameazetidin-1-yl-[2-(cyclopropylamino)-3-[4-[(R)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid
Molecular weight610.561
Hydrogen bond acceptor14
Hydrogen bond donor2
XlogPNone
SynonymsN/A
Inchi KeyCTDBHQFGHFYWBT-GNAFDRTKSA-N
Inchi IDInChI=1S/C26H27F3N6O.C2HF3O2/c27-16-2-5-18(19(28)12-16)23(29)15-6-10-34(11-7-15)25-24(31-17-3-4-17)32-20-13-21(30-14-22(20)33-25)26(36)35-8-1-9-35;3-2(4,5)1(6)7/h2,5,12-15,17,23H,1,3-4,6-11H2,(H,31,32);(H,6,7)/t23-;/m1./s1
PubChem CID127024446
ChEMBLCHEMBL3716246
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
IC5022.0 nMNoneChEMBL

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