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

NameCHEMBL409304
Molecular formulaC53H38N6Na6O25S6
IUPAC namehexasodium;8-[[4-(methoxymethyl)-3-[[3-[[3-[[2-(methoxymethyl)-5-[(4,6,8-trisulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonate
Molecular weight1489.2
Hydrogen bond acceptor25
Hydrogen bond donor6
XlogPNone
SynonymsN/A
Inchi KeyWLJFOUUDEFSFLM-UHFFFAOYSA-H
Inchi IDInChI=1S/C53H44N6O25S6.6Na/c1-83-25-31-11-9-29(51(62)56-39-13-15-43(87(71,72)73)37-21-35(85(65,66)67)23-45(47(37)39)89(77,78)79)19-41(31)58-49(60)27-5-3-7-33(17-27)54-53(64)55-34-8-4-6-28(18-34)50(61)59-42-20-30(10-12-32(42)26-84-2)52(63)57-40-14-16-44(88(74,75)76)38-22-36(86(68,69)70)24-46(48(38)40)90(80,81)82;;;;;;/h3-24H,25-26H2,1-2H3,(H,56,62)(H,57,63)(H,58,60)(H,59,61)(H2,54,55,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82);;;;;;/q;6*+1/p-6
PubChem CID11679780
ChEMBLCHEMBL409304
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.
Partition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
Inhibition71.6 %PMID16250663ChEMBL
Ki2398.83 nMPMID16250663ChEMBL
Rel potency1.9 -PMID16250663ChEMBL

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