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

NameProstaglandin E2 receptor EP1 subtype
SpeciesRattus norvegicus (Rat)
GenePtger1
SynonymEP1 prostanoid receptor
EP1 receptor
PGE receptor EP1 subtype
PGE2 receptor EP1 subtype
prostaglandin E receptor 1 (subtype EP1), 42kDa
[ Show all ]
DiseaseN/A for non-human GPCRs
Length405
Amino acid sequenceMSPYGLNLSLVDEATTCVTPRVPNTSVVLPTGGNGTSPALPIFSMTLGAVSNVLALALLAQVAGRLRRRRSTATFLLFVASLLAIDLAGHVIPGALVLRLYTAGRAPAGGACHFLGGCMVFFGLCPLLLGCGMAVERCVGVTQPLIHAARVSVARARLALALLAAMALAVALLPLVHVGHYELQYPGTWCFISLGPPGGWRQALLAGLFAGLGLAALLAALVCNTLSGLALLRARWRRRRSRRFRENAGPDDRRRWGSRGLRLASASSASSITSTTAALRSSRGGGSARRVHAHDVEMVGQLVGIMVVSCICWSPLLVLVVLAIGGWNSNSLQRPLFLAVRLASWNQILDPWVYILLRQAMLRQLLRLLPLRVSAKGGPTELSLTKSAWEASSLRSSRHSGFSHL
UniProtP70597
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5068
IUPHAR340
DrugBankN/A

Ligand

NameUNII-U73BV4MML7
Molecular formulaC22H19ClNNaO3
IUPAC namesodium;6-[2-[5-chloro-2-(2-methylpropoxy)phenyl]phenyl]pyridine-2-carboxylate
Molecular weight403.838
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogPNone
Synonyms2-Pyridinecarboxylic acid, 6-(5'-chloro-2'-(2-methylpropoxy)(1,1'-biphenyl)-2-yl)-, sodium salt
SCHEMBL5155300
GSK345931A
2-Pyridinecarboxylic acid, 6-(5'-chloro-2'-(2-methylpropoxy)(1,1'-biphenyl)-2-yl)-, sodium salt (1:1)
Sodium 6-{5'-chloro-2'-[(2-methylpropyl)oxy]-2-biphenylyl}-2-pyridinecarboxylate
[ Show all ]
Inchi KeyHCPQFFJXXAUWBN-UHFFFAOYSA-M
Inchi IDInChI=1S/C22H20ClNO3.Na/c1-14(2)13-27-21-11-10-15(23)12-18(21)16-6-3-4-7-17(16)19-8-5-9-20(24-19)22(25)26;/h3-12,14H,13H2,1-2H3,(H,25,26);/q;+1/p-1
PubChem CID23686961
ChEMBLCHEMBL467510
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
IC5012.6 nMPMID19036582ChEMBL

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