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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

NameCHEMBL70380
Molecular formulaC24H22N4O2
IUPAC name1-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea
Molecular weight398.466
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.8
SynonymsSCHEMBL9843248
(3S)-1-Methyl-3-[3-(3-methylphenyl)ureido]-5-phenyl-1H-1,4-benzodiazepin-2(3H)-one
1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea((S)L365_260)
PDSP1_000882
BDBM50061220
[ Show all ]
Inchi KeyKDFQABSFVYLGPM-JOCHJYFZSA-N
Inchi IDInChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m1/s1
PubChem CID9887120
ChEMBLCHEMBL70380
IUPHARN/A
BindingDB50061220
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki23.0 nMPMID2721567BindingDB
Ki39.0 nMPMID2721567BindingDB
Ki450.0 nMPMID2721567BindingDB

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