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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

NameSCHEMBL9999077
Molecular formulaC30H35F3N6O4
IUPAC nameN-[(2,4-dimethoxyphenyl)methyl]-4-[3-[[2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetyl]amino]azetidin-1-yl]cyclohexane-1-carboxamide
Molecular weight600.643
Hydrogen bond acceptor11
Hydrogen bond donor3
XlogP4.0
SynonymsN-(2,4-dimethoxybenzyl)-4-(3-(2-((6-(trifluoromethyl)quinazolin-4-yl)amino)acetamido)azetidin-1-yl)cyclohexanecarboxamide
CHEMBL3704137
BDBM163502
LWXANGVPWSBMCN-UHFFFAOYSA-N
US9062048, 129
Inchi KeyLWXANGVPWSBMCN-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H35F3N6O4/c1-42-23-9-5-19(26(12-23)43-2)13-35-29(41)18-3-7-22(8-4-18)39-15-21(16-39)38-27(40)14-34-28-24-11-20(30(31,32)33)6-10-25(24)36-17-37-28/h5-6,9-12,17-18,21-22H,3-4,7-8,13-16H2,1-2H3,(H,35,41)(H,38,40)(H,34,36,37)
PubChem CID68004013
ChEMBLCHEMBL3704137
IUPHARN/A
BindingDB163502
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.

Experimental Data

ParameterValueReferenceDatabase source
IC50390.0 nM, NoneBindingDB,ChEMBL

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