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GPCR

NameGastrin/cholecystokinin type B receptor
SpeciesCanis lupus familiaris (Dog)
GeneCCKBR
SynonymCCK-B receptor
CCK-BR
CCK2-R
Cholecystokinin-2 receptor
DiseaseN/A for non-human GPCRs
Length453
Amino acid sequenceMELLKLNRSAQGSGAGPGASLCRAGGALLNSSGAGNLSCEPPRLRGAGTRELELAIRVTLYAVIFLMSVGGNVLIIVVLGLSRRLRTVTNAFLLSLAVSDLLLAVACMPFTLLPNLMGTFIFGTVVCKAVSYLMGVSVSVSTLSLVAIALERYSAICRPLQARVWQTRSHAARVIIATWMLSGLLMVPYPVYTAVQPAGGARALQCVHRWPSARVRQTWSVLLLLLLFFVPGVVMAVAYGLISRELYLGLRFDEDSDSESRVRSQGGLRGGAGPGPAPPNGSCRPEGGLAGEDGDGCYVQLPRSRQTLELSALTAPTPGPGGGPRPYQAKLLAKKRVVRMLLVIVVLFFLCWLPLYSANTWRAFDSSGAHRALSGAPISFIHLLSYASACVNPLVYCFMHRRFRQACLETCARCCPRPPRARPRPLPDEDPPTPSIASLSRLSYTTISTLGPG
UniProtP30552
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5595
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL390519
Molecular formulaC28H35N3O4
IUPAC name3-[[5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazole-4-carbonyl]amino]benzoic acid
Molecular weight477.605
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP5.3
SynonymsRKPUHYCGNGSOCF-UHFFFAOYSA-N
3-{[5-(adamantan-1-yloxymethyl)-2-cyclohexyl -1H-imidazole-4-carbonyl]-amino}-benzoic acid
SCHEMBL6160887
BDBM50410544
L020977
[ Show all ]
Inchi KeyRKPUHYCGNGSOCF-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H35N3O4/c32-26(29-22-8-4-7-21(12-22)27(33)34)24-23(30-25(31-24)20-5-2-1-3-6-20)16-35-28-13-17-9-18(14-28)11-19(10-17)15-28/h4,7-8,12,17-20H,1-3,5-6,9-11,13-16H2,(H,29,32)(H,30,31)(H,33,34)
PubChem CID9832467
ChEMBLCHEMBL390519
IUPHARN/A
BindingDB50410544
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC5019.0 nMPMID16250639BindingDB
IC5019.5 nMPMID16250639ChEMBL
Inhibition63.0 %PMID16250639ChEMBL
Inhibition66.0 %PMID17536796ChEMBL
Inhibition76.0 %PMID16250639ChEMBL
Inhibition97.0 %PMID17536796ChEMBL
Ki11.0 nMPMID17536796BindingDB
Ki11.48 nMPMID17536796ChEMBL

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