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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

NameCHEMBL3922201
Molecular formulaC28H29F8N3O2
IUPAC name(3R,4S)-N-[3,5-bis(trifluoromethyl)phenyl]-3-[(3,3-difluoropiperidin-1-yl)methyl]-1-(2,6-dimethylphenyl)-4-methyl-5-oxopyrrolidine-3-carboxamide
Molecular weight591.546
Hydrogen bond acceptor11
Hydrogen bond donor1
XlogP5.9
SynonymsSCHEMBL15251249
Inchi KeyAEGDPXAYVSWTHS-IQGLISFBSA-N
Inchi IDInChI=1S/C28H29F8N3O2/c1-16-6-4-7-17(2)22(16)39-14-25(18(3)23(39)40,13-38-9-5-8-26(29,30)15-38)24(41)37-21-11-19(27(31,32)33)10-20(12-21)28(34,35)36/h4,6-7,10-12,18H,5,8-9,13-15H2,1-3H3,(H,37,41)/t18-,25-/m1/s1
PubChem CID89799873
ChEMBLCHEMBL3922201
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This 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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