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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

NameCHEMBL101803
Molecular formulaC26H33N3O3
IUPAC name1-[(2R)-1-(4-benzoylpiperidin-1-yl)-1-oxohexan-2-yl]-3-(3-methylphenyl)urea
Molecular weight435.568
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.5
SynonymsBDBM50286173
1-[(R)-1-(4-Benzoyl-piperidine-1-carbonyl)-pentyl]-3-m-tolyl-urea
Inchi KeyASLCFRWVLZGOAR-HSZRJFAPSA-N
Inchi IDInChI=1S/C26H33N3O3/c1-3-4-13-23(28-26(32)27-22-12-8-9-19(2)18-22)25(31)29-16-14-21(15-17-29)24(30)20-10-6-5-7-11-20/h5-12,18,21,23H,3-4,13-17H2,1-2H3,(H2,27,28,32)/t23-/m1/s1
PubChem CID44334259
ChEMBLCHEMBL101803
IUPHARN/A
BindingDB50286173
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC504800.0 nM, Bioorg. Med. Chem. Lett., (1995) 5:24:3057BindingDB,ChEMBL

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