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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

NameSCHEMBL9999500
Molecular formulaC20H22F3N5O2
IUPAC nameN-[1-(4-oxocyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
Molecular weight421.424
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP2.2
SynonymsN-(1-(4-oxocyclohexyl)azetidin-3-yl)-2-((6-(trifluoromethyl)quinazolin-4-yl)amino)acetamide
CHEMBL3704114
BDBM163474
DMLRWEUQNVZYCU-UHFFFAOYSA-N
US9062048, 103
Inchi KeyDMLRWEUQNVZYCU-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H22F3N5O2/c21-20(22,23)12-1-6-17-16(7-12)19(26-11-25-17)24-8-18(30)27-13-9-28(10-13)14-2-4-15(29)5-3-14/h1,6-7,11,13-14H,2-5,8-10H2,(H,27,30)(H,24,25,26)
PubChem CID54770393
ChEMBLCHEMBL3704114
IUPHARN/A
BindingDB163474
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50530.0 nM, NoneBindingDB,ChEMBL

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