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GPCR

NameC-C chemokine receptor-like 2
SpeciesHomo sapiens (Human)
GeneCCRL2
SynonymACR5
CRAM-B
CRAM-A
CKRX
Chemokine receptor X
[ Show all ]
DiseaseN/A
Length344
Amino acid sequenceMANYTLAPEDEYDVLIEGELESDEAEQCDKYDAQALSAQLVPSLCSAVFVIGVLDNLLVVLILVKYKGLKRVENIYLLNLAVSNLCFLLTLPFWAHAGGDPMCKILIGLYFVGLYSETFFNCLLTVQRYLVFLHKGNFFSARRRVPCGIITSVLAWVTAILATLPEFVVYKPQMEDQKYKCAFSRTPFLPADETFWKHFLTLKMNISVLVLPLFIFTFLYVQMRKTLRFREQRYSLFKLVFAIMVVFLLMWAPYNIAFFLSTFKEHFSLSDCKSSYNLDKSVHITKLIATTHCCINPLLYAFLDGTFSKYLCRCFHLRSNTPLQPRGQSAQGTSREEPDHSTEV
UniProtO00421
Protein Data BankN/A
GPCR-HGmod modelO00421
3D structure modelThis predicted structure model is from GPCR-EXP O00421.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2321627
IUPHARN/A
DrugBankN/A

Ligand

NameSCHEMBL9999172
Molecular formulaC24H30F3N5O3
IUPAC nameethyl 2-[4-[3-[[2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetyl]amino]azetidin-1-yl]cyclohexyl]acetate
Molecular weight493.531
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP3.7
SynonymsLBINMVZYAKUQPX-UHFFFAOYSA-N
CHEMBL3704130
BDBM163495
ethyl 2-(4-(3-(2-((6-(trifluoromethyl)quinazolin-4-yl)amino)acetamido)azetidin-1-yl)cyclohexyl)acetate
US9062048, 122
Inchi KeyLBINMVZYAKUQPX-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H30F3N5O3/c1-2-35-22(34)9-15-3-6-18(7-4-15)32-12-17(13-32)31-21(33)11-28-23-19-10-16(24(25,26)27)5-8-20(19)29-14-30-23/h5,8,10,14-15,17-18H,2-4,6-7,9,11-13H2,1H3,(H,31,33)(H,28,29,30)
PubChem CID68004047
ChEMBLCHEMBL3704130
IUPHARN/A
BindingDB163495
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50120.0 nM, NoneBindingDB,ChEMBL

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