Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

GPCR

NameP2Y purinoceptor 2
SpeciesHomo sapiens (Human)
GeneP2RY2
SynonymPurinergic receptor
purinergic receptor P2Y
P2Y2 receptor
P2Y2
P2Y purinoceptor 2
[ Show all ]
DiseaseDry eye disease
Constipation
Cystic fibrosis
Lung cancer
Length377
Amino acid sequenceMAADLGPWNDTINGTWDGDELGYRCRFNEDFKYVLLPVSYGVVCVPGLCLNAVALYIFLCRLKTWNASTTYMFHLAVSDALYAASLPLLVYYYARGDHWPFSTVLCKLVRFLFYTNLYCSILFLTCISVHRCLGVLRPLRSLRWGRARYARRVAGAVWVLVLACQAPVLYFVTTSARGGRVTCHDTSAPELFSRFVAYSSVMLGLLFAVPFAVILVCYVLMARRLLKPAYGTSGGLPRAKRKSVRTIAVVLAVFALCFLPFHVTRTLYYSFRSLDLSCHTLNAINMAYKVTRPLASANSCLDPVLYFLAGQRLVRFARDAKPPTGPSPATPARRRLGLRRSDRTDMQRIEDVLGSSEDSRRTESTPAGSENTKDIRL
UniProtP41231
Protein Data BankN/A
GPCR-HGmod modelP41231
3D structure modelThis predicted structure model is from GPCR-EXP P41231.
BioLiPN/A
Therapeutic Target DatabaseT93515
ChEMBLCHEMBL4398
IUPHAR324
DrugBankBE0002401

Ligand

NameCHEMBL3220046
Molecular formulaC16H20BrN3O12P2
IUPAC name[(2R,3S,4R,5R)-5-[4-[(3-bromophenyl)methoxyamino]-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Molecular weight588.197
Hydrogen bond acceptor12
Hydrogen bond donor6
XlogP-2.7
SynonymsN-(3-Bromobenzyloxy)cytidine 5'-diphosphoric acid
Inchi KeyFGMXILSWRVITJV-NMFUWQPSSA-N
Inchi IDInChI=1S/C16H20BrN3O12P2/c17-10-3-1-2-9(6-10)7-29-19-12-4-5-20(16(23)18-12)15-14(22)13(21)11(31-15)8-30-34(27,28)32-33(24,25)26/h1-6,11,13-15,21-22H,7-8H2,(H,27,28)(H,18,19,23)(H2,24,25,26)/t11-,13-,14-,15-/m1/s1
PubChem CID90666789
ChEMBLCHEMBL3220046
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC506200.0 nMPMID26161252ChEMBL

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