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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

NameCHEMBL74170
Molecular formulaC27H27N3O2
IUPAC nameN-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-4-pentylbenzamide
Molecular weight425.532
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP5.9
SynonymsSCHEMBL9527168
BFUQXEBNBYWFLZ-UHFFFAOYSA-N
BDBM50019205
1,3-Dihydro-3(RS)-(4-n-pentylbenzoylamino)-5-phenyl-2H-1,4-benzodiazepin-2-one
N-(2-Oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-4-pentyl-benzamide
Inchi KeyBFUQXEBNBYWFLZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H27N3O2/c1-2-3-5-10-19-15-17-21(18-16-19)26(31)30-25-27(32)28-23-14-9-8-13-22(23)24(29-25)20-11-6-4-7-12-20/h4,6-9,11-18,25H,2-3,5,10H2,1H3,(H,28,32)(H,30,31)
PubChem CID14208263
ChEMBLCHEMBL74170
IUPHARN/A
BindingDB50019205
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<100000.0 nMPMID2848124BindingDB,ChEMBL

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