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GPCR

NameGastrin/cholecystokinin type B receptor
SpeciesHomo sapiens (Human)
GeneCCKBR
SynonymCCK-B receptor
CCK-B receptor {ECO:0000303|PubMed:8415658}
CCK-B/gastrin receptor
CCK-BR
gastrin/cholecystokinin type B receptor
[ Show all ]
DiseaseDiagnostic imaging
Duodenal ulcers
Gastroesophageal reflux disease
Gastrointestinal disease
Intestine cancer
[ Show all ]
Length447
Amino acid sequenceMELLKLNRSVQGTGPGPGASLCRPGAPLLNSSSVGNLSCEPPRIRGAGTRELELAIRITLYAVIFLMSVGGNMLIIVVLGLSRRLRTVTNAFLLSLAVSDLLLAVACMPFTLLPNLMGTFIFGTVICKAVSYLMGVSVSVSTLSLVAIALERYSAICRPLQARVWQTRSHAARVIVATWLLSGLLMVPYPVYTVVQPVGPRVLQCVHRWPSARVRQTWSVLLLLLLFFIPGVVMAVAYGLISRELYLGLRFDGDSDSDSQSRVRNQGGLPGAVHQNGRCRPETGAVGEDSDGCYVQLPRSRPALELTALTAPGPGSGSRPTQAKLLAKKRVVRMLLVIVVLFFLCWLPVYSANTWRAFDGPGAHRALSGAPISFIHLLSYASACVNPLVYCFMHRRFRQACLETCARCCPRPPRARPRALPDEDPPTPSIASLSRLSYTTISTLGPG
UniProtP32239
Protein Data BankN/A
GPCR-HGmod modelP32239
3D structure modelThis predicted structure model is from GPCR-EXP P32239.
BioLiPN/A
Therapeutic Target DatabaseT05849
ChEMBLCHEMBL298
IUPHAR77
DrugBankBE0001158

Ligand

NameCHEMBL37699
Molecular formulaC25H20BrN3O2
IUPAC name2-[2-(5-bromo-1H-indol-3-yl)ethyl]-3-(3-methoxyphenyl)quinazolin-4-one
Molecular weight474.358
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.1
SynonymsBDBM50011942
L005999
2-[2-(5-Bromo-1H-indol-3-yl)-ethyl]-3-(3-methoxy-phenyl)-3H-quinazolin-4-one
2-[2-(5-Bromo-1H-indol-3-yl)ethyl]-3-(3-methoxyphenyl)quinazolin-4(3H)-one
Inchi KeyAAYKUORGNKPQCI-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H20BrN3O2/c1-31-19-6-4-5-18(14-19)29-24(28-23-8-3-2-7-20(23)25(29)30)12-9-16-15-27-22-11-10-17(26)13-21(16)22/h2-8,10-11,13-15,27H,9,12H2,1H3
PubChem CID14843038
ChEMBLCHEMBL37699
IUPHARN/A
BindingDB50011942
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50360.0 nMPMID2016728BindingDB,ChEMBL
IC501300.0 nMPMID2016728BindingDB,ChEMBL

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