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
SpeciesMus musculus (Mouse)
GeneP2ry2
SynonymPurinergic receptor
P2Y2 receptor
P2Y2
P2Y purinoceptor 2
ATP receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length373
Amino acid sequenceMAADLEPWNSTINGTWEGDELGYKCRFNEDFKYVLLPVSYGVVCVLGLCLNVVALYIFLCRLKTWNASTTYMFHLAVSDSLYAASLPLLVYYYARGDHWPFSTVLCKLVRFLFYTNLYCSILFLTCISVHRCLGVLRPLHSLRWGRARYARRVAAVVWVLVLACQAPVLYFVTTSVRGTRITCHDTSARELFSHFVAYSSVMLGLLFAVPFSVILVCYVLMARRLLKPAYGTTGGLPRAKRKSVRTIALVLAVFALCFLPFHVTRTLYYSFRSLDLSCHTLNAINMAYKITRPLASANSCLDPVLYFLAGQRLVRFARDAKPPTEPTPSPQARRKLGLHRPNRTVRKDLSVSSDDSRRTESTPAGSETKDIRL
UniProtP35383
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1075298
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL401859
Molecular formulaC26H18N3O5S-
IUPAC name1-amino-4-(4-anilinoanilino)-9,10-dioxoanthracene-2-sulfonate
Molecular weight484.506
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP5.0
SynonymsBDBM50227016
Sodium 1-amino-4-(4-anilinophenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
sodium 1-amino-9,10-dioxo-4-(4-(phenylamino)phenylamino)-9,10-dihydroanthracene-2-sulfonate
Inchi KeySLKPUOMONGLJQP-UHFFFAOYSA-M
Inchi IDInChI=1S/C26H19N3O5S/c27-24-21(35(32,33)34)14-20(22-23(24)26(31)19-9-5-4-8-18(19)25(22)30)29-17-12-10-16(11-13-17)28-15-6-2-1-3-7-15/h1-14,28-29H,27H2,(H,32,33,34)/p-1
PubChem CID91935664
ChEMBLN/A
IUPHARN/A
BindingDB50227016
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC5030000.0 nMPMID18006312BindingDB

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