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GPCR

NameChemokine-like receptor 1
SpeciesHomo sapiens (Human)
GeneCMKLR1
Synonymtazarotene induced gene 2 receptor
RVER1
resolvin E1 receptor
Gpcr27
G-protein coupled receptor DEZ
[ Show all ]
DiseaseN/A
Length373
Amino acid sequenceMRMEDEDYNTSISYGDEYPDYLDSIVVLEDLSPLEARVTRIFLVVVYSIVCFLGILGNGLVIIIATFKMKKTVNMVWFLNLAVADFLFNVFLPIHITYAAMDYHWVFGTAMCKISNFLLIHNMFTSVFLLTIISSDRCISVLLPVWSQNHRSVRLAYMACMVIWVLAFFLSSPSLVFRDTANLHGKISCFNNFSLSTPGSSSWPTHSQMDPVGYSRHMVVTVTRFLCGFLVPVLIITACYLTIVCKLQRNRLAKTKKPFKIIVTIIITFFLCWCPYHTLNLLELHHTAMPGSVFSLGLPLATALAIANSCMNPILYVFMGQDFKKFKVALFSRLVNALSEDTGHSSYPSHRSFTKMSSMNERTSMNERETGML
UniProtQ99788
Protein Data BankN/A
GPCR-HGmod modelQ99788
3D structure modelThis predicted structure model is from GPCR-EXP Q99788.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3540
IUPHAR79
DrugBankN/A

Ligand

NameCHEMBL3934878
Molecular formulaC24H21F7N2O2
IUPAC name(5S)-N-[3,5-bis(trifluoromethyl)phenyl]-2-(2,6-dimethylphenyl)-5-fluoro-3-oxo-3a,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole-6a-carboxamide
Molecular weight502.433
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP5.1
SynonymsN/A
Inchi KeyFHVLLGDBLIJLBG-GENZYMQKSA-N
Inchi IDInChI=1S/C24H21F7N2O2/c1-12-4-3-5-13(2)19(12)33-11-22(10-16(25)9-18(22)20(33)34)21(35)32-17-7-14(23(26,27)28)6-15(8-17)24(29,30)31/h3-8,16,18H,9-11H2,1-2H3,(H,32,35)/t16-,18?,22?/m0/s1
PubChem CID134148666
ChEMBLCHEMBL3934878
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50>30.0 nMNoneChEMBL

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