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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

NameCHEMBL226673
Molecular formulaC30H36N4O5
IUPAC name2-[3-[[2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetyl]amino]phenyl]acetic acid
Molecular weight532.641
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.7
SynonymsBDBM50411346
SCHEMBL3911435
Inchi KeyTVUIMMHGHOEKIU-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H36N4O5/c1-30(2,3)25(35)18-33-24-15-8-7-14-23(24)28(21-11-5-4-6-12-21)32-34(29(33)39)19-26(36)31-22-13-9-10-20(16-22)17-27(37)38/h7-10,13-16,21H,4-6,11-12,17-19H2,1-3H3,(H,31,36)(H,37,38)
PubChem CID16732909
ChEMBLCHEMBL226673
IUPHARN/A
BindingDB50411346
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki5.2 nMPMID17536796BindingDB
Ki5.248 nMPMID17536796ChEMBL

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