Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe 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 SVMSEQ NeBcon ResPRE WDL-RF ATPbind DockRMSD DeepMSA FASPR

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

GPCR

NameP2Y purinoceptor 11
SpeciesHomo sapiens (Human)
GeneP2RY11
SynonymP2Y11 receptor
purinergic receptor P2Y, G-protein coupled, 11
P2Y11
DiseaseN/A
Length374
Amino acid sequenceMAANVSGAKSCPANFLAAADDKLSGFQGDFLWPILVVEFLVAVASNGLALYRFSIRKQRPWHPAVVFSVQLAVSDLLCALTLPPLAAYLYPPKHWRYGEAACRLERFLFTCNLLGSVIFITCISLNRYLGIVHPFFARSHLRPKHAWAVSAAGWVLAALLAMPTLSFSHLKRPQQGAGNCSVARPEACIKCLGTADHGLAAYRAYSLVLAGLGCGLPLLLTLAAYGALGRAVLRSPGMTVAEKLRVAALVASGVALYASSYVPYHIMRVLNVDARRRWSTRCPSFADIAQATAALELGPYVGYQVMRGLMPLAFCVHPLLYMAAVPSLGCCCRHCPGYRDSWNPEDAKSTGQALPLNATAAPKPSEPQSRELSQ
UniProtQ96G91
Protein Data BankN/A
GPCR-HGmod modelQ96G91
3D structure modelThis predicted structure model is from GPCR-EXP Q96G91.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4867
IUPHAR327
DrugBankBE0005499

Ligand

NameCHEMBL414577
Molecular formulaC39H28N4Na6O23S6
IUPAC namehexasodium;8-[[4-(methoxymethyl)-3-[[2-(methoxymethyl)-5-[(4,6,8-trisulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-1,3,5-trisulfonate
Molecular weight1250.96
Hydrogen bond acceptor23
Hydrogen bond donor4
XlogPNone
SynonymsN/A
Inchi KeyHLWNHWJPPOZTCP-UHFFFAOYSA-H
Inchi IDInChI=1S/C39H34N4O23S6.6Na/c1-65-17-21-5-3-19(37(44)40-27-7-9-31(69(53,54)55)25-13-23(67(47,48)49)15-33(35(25)27)71(59,60)61)11-29(21)42-39(46)43-30-12-20(4-6-22(30)18-66-2)38(45)41-28-8-10-32(70(56,57)58)26-14-24(68(50,51)52)16-34(36(26)28)72(62,63)64;;;;;;/h3-16H,17-18H2,1-2H3,(H,40,44)(H,41,45)(H2,42,43,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64);;;;;;/q;6*+1/p-6
PubChem CID11665341
ChEMBLCHEMBL414577
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
Inhibition23.8 %PMID16250663ChEMBL

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