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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

NameSCHEMBL9999202
Molecular formulaC24H27F3N6O2S
IUPAC nameN-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[methyl-[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
Molecular weight520.575
Hydrogen bond acceptor11
Hydrogen bond donor2
XlogP3.1
SynonymsBDBM163437
SCHEMBL12072336
SCHEMBL9999203
SCHEMBL15214682
US9062048, 64
[ Show all ]
Inchi KeyYYNKWWMSCQAERL-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H27F3N6O2S/c1-32(21-18-10-15(24(25,26)27)2-3-19(18)29-14-30-21)13-20(34)31-16-11-33(12-16)17-4-6-23(35,7-5-17)22-28-8-9-36-22/h2-3,8-10,14,16-17,35H,4-7,11-13H2,1H3,(H,31,34)
PubChem CID54771979
ChEMBLCHEMBL3909161
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.

Experimental Data

ParameterValueReferenceDatabase source
IC50830.0 nMNoneChEMBL

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