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 DMFold 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

NameP2Y purinoceptor 6
SpeciesRattus norvegicus (Rat)
GeneP2ry6
SynonymP2Y ATP receptor 6
P2Y purinoceptor 6
P2Y6
P2Y6 receptor
pyrimidinergic receptor P2Y
[ Show all ]
DiseaseN/A for non-human GPCRs
Length328
Amino acid sequenceMERDNGTIQAPGLPPTTCVYREDFKRLLLPPVYSVVLVVGLPLNVCVIAQICASRRTLTRSAVYTLNLALADLLYACSLPLLIYNYARGDHWPFGDLACRLVRFLFYANLHGSILFLTCISFQRYLGICHPLAPWHKRGGRRAAWVVCGVVWLVVTAQCLPTAVFAATGIQRNRTVCYDLSPPILSTRYLPYGMALTVIGFLLPFTALLACYCRMARRLCRQDGPAGPVAQERRSKAARMAVVVAAVFVISFLPFHITKTAYLAVRSTPGVSCPVLETFAAAYKGTRPFASANSVLDPILFYFTQQKFRRQPHDLLQKLTAKWQRQRV
UniProtQ63371
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3543
IUPHAR326
DrugBankN/A

Ligand

NameCHEMBL464548
Molecular formulaC25H34N7O8P
IUPAC name(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-[4-[4-(diethoxyphosphorylmethyl)anilino]-4-oxobutyl]-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight591.562
Hydrogen bond acceptor12
Hydrogen bond donor5
XlogP-1.0
SynonymsSCHEMBL13211002
4-[4-((2S,3R,4S,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofurane-2-carboxamido)butylamido]benzylphosphonic acid diethyl ester
BDBM50262373
Inchi KeyNLEXSAYIQIVTAR-UGCAPWQASA-N
Inchi IDInChI=1S/C25H34N7O8P/c1-3-38-41(37,39-4-2)12-15-7-9-16(10-8-15)31-17(33)6-5-11-27-24(36)21-19(34)20(35)25(40-21)32-14-30-18-22(26)28-13-29-23(18)32/h7-10,13-14,19-21,25,34-35H,3-6,11-12H2,1-2H3,(H,27,36)(H,31,33)(H2,26,28,29)/t19-,20+,21-,25+/m0/s1
PubChem CID24948922
ChEMBLCHEMBL464548
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.

Experimental Data

ParameterValueReferenceDatabase source
Inhibition-13.0 %PMID18630897ChEMBL

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218