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 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

NameProstacyclin receptor
SpeciesMus musculus (Mouse)
GenePtgir
SynonymIP receptor
PGI receptor
PGI2 receptor
prostacyclin receptor
prostaglandin I2 (prostacyclin) receptor (IP)
[ Show all ]
DiseaseN/A for non-human GPCRs
Length415
Amino acid sequenceMMASDGHPGPPSVTPGSPLSAGGREWQGMAGSCWNITYVQDSVGPATSTLMFVAGVVGNGLALGILGARRRSHPSAFAVLVTGLAVTDLLGTCFLSPAVFVAYARNSSLLGLAHGGTMLCDTFAFAMTFFGLASTLILFAMAVERCLALSHPYLYAQLDGPRCARFALPSIYAFCCLFCSLPLLGLGEHQQYCPGSWCFIRMRSAQPGGCAFSLAYASLMALLVTSIFFCNGSVTLSLYHMYRQQRRHHGSFVPTSRAREDEVYHLILLALMTVIMAVCSLPLMIRGFTQAIAPDSREMGDLLAFRFNAFNPILDPWVFILFRKAVFQRLKFWLCCLCARSVHGDLQAPLSRPASGRRDPPAPTSLQAKEGSWVPLSSWGTGQVAPLTAVPLTGGDGCSVGMPSKSEAIAACSLC
UniProtP43252
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLN/A
IUPHAR345
DrugBankN/A

Ligand

NameOno-1301
Molecular formulaC26H24N2O4
IUPAC name2-[[5-[2-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]oxyethyl]-7,8-dihydronaphthalen-1-yl]oxy]acetic acid
Molecular weight428.488
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.9
SynonymsD0G5DK
2-[[5-[2-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]oxyethyl]-7,8-dihydronaphthalen-1-yl]oxy]acetic acid
NCGC00165852-01
AKOS032954172
SCHEMBL3771841
[ Show all ]
Inchi KeyWBBLIRPKRKYMTD-BYCLXTJYSA-N
Inchi IDInChI=1S/C26H24N2O4/c29-25(30)18-31-24-13-5-11-22-19(9-4-12-23(22)24)14-16-32-28-26(20-7-2-1-3-8-20)21-10-6-15-27-17-21/h1-3,5-11,13,15,17H,4,12,14,16,18H2,(H,29,30)/b28-26+
PubChem CID6536812
ChEMBLN/A
IUPHAR1964
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki50.1187 nMPMID9313928IUPHAR

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417