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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

NameSCHEMBL9998176
Molecular formulaC24H29F3N6O2
IUPAC nameN-[1-[4-(2-oxopyrrolidin-1-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
Molecular weight490.531
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP2.9
SynonymsCHEMBL3704059
BDBM163372
N-(1-(4-(2-oxopyrrolidin-1-yl)cyclohexyl)azetidin-3-yl)-2-((6-(trifluoromethyl)quinazolin-4-yl)amino)acetamide
US9062048, 40
RDGFHBPSDVQZEM-UHFFFAOYSA-N
Inchi KeyRDGFHBPSDVQZEM-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H29F3N6O2/c25-24(26,27)15-3-8-20-19(10-15)23(30-14-29-20)28-11-21(34)31-16-12-32(13-16)17-4-6-18(7-5-17)33-9-1-2-22(33)35/h3,8,10,14,16-18H,1-2,4-7,9,11-13H2,(H,31,34)(H,28,29,30)
PubChem CID68003506
ChEMBLCHEMBL3704059
IUPHARN/A
BindingDB163372
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5078.0 nM, NoneBindingDB,ChEMBL

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