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 DMFold 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

NameOxoeicosanoid receptor 1
SpeciesHomo sapiens (Human)
GeneOXER1
SynonymR527
oxoeicosanoid (OXE) receptor 1
OXE receptor
hGPCR48
GPR170
[ Show all ]
DiseaseN/A
Length423
Amino acid sequenceMLCHRGGQLIVPIIPLCPEHSCRGRRLQNLLSGPWPKQPMELHNLSSPSPSLSSSVLPPSFSPSPSSAPSAFTTVGGSSGGPCHPTSSSLVSAFLAPILALEFVLGLVGNSLALFIFCIHTRPWTSNTVFLVSLVAADFLLISNLPLRVDYYLLHETWRFGAAACKVNLFMLSTNRTASVVFLTAIALNRYLKVVQPHHVLSRASVGAAARVAGGLWVGILLLNGHLLLSTFSGPSCLSYRVGTKPSASLRWHQALYLLEFFLPLALILFAIVSIGLTIRNRGLGGQAGPQRAMRVLAMVVAVYTICFLPSIIFGMASMVAFWLSACRSLDLCTQLFHGSLAFTYLNSVLDPVLYCFSSPNFLHQSRALLGLTRGRQGPVSDESSYQPSRQWRYREASRKAEAIGKLKVQGEVSLEKEGSSQG
UniProtQ8TDS5
Protein Data BankN/A
GPCR-HGmod modelQ8TDS5
3D structure modelThis predicted structure model is from GPCR-EXP Q8TDS5.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1628461
IUPHAR271
DrugBankN/A

Ligand

NameCHEMBL3115775
Molecular formulaC21H28ClNO3
IUPAC name5-(5-chloro-2-hexyl-1-methylindol-3-yl)-3-methyl-5-oxopentanoic acid
Molecular weight377.909
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.4
SynonymsBDBM50446952
SCHEMBL287150
3-Methyl-5-oxo-5-(1-methyl-2-hexyl-5-chloro-1H-indole-3-yl)pentanoic acid
Inchi KeyXDSPQHGHALVRAI-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H28ClNO3/c1-4-5-6-7-8-18-21(19(24)11-14(2)12-20(25)26)16-13-15(22)9-10-17(16)23(18)3/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,25,26)
PubChem CID66644128
ChEMBLCHEMBL3115775
IUPHARN/A
BindingDB50446952
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC506.0 nMPMID24351031BindingDB
IC506.0 nMPMID24351031ChEMBL
IC5028.0 nMPMID24351031BindingDB,ChEMBL
IC5033.0 nMPMID24351031BindingDB,ChEMBL
IC50454.0 nMPMID24351031BindingDB,ChEMBL
IC502730.0 nMPMID24351031BindingDB,ChEMBL
Ratio10.0 -PMID24351031ChEMBL

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