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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

NameCHEMBL321800
Molecular formulaC31H35N3O4
IUPAC name1-[(2R,3R)-1-(4-benzoylpiperidin-1-yl)-1-oxo-3-phenylmethoxybutan-2-yl]-3-(3-methylphenyl)urea
Molecular weight513.638
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.5
Synonyms1-{(R)-1-[(R)-(4-Benzoyl-piperidin-1-yl)-oxo-methyl]-2-benzyloxy-propyl}-3-m-tolyl-urea
BDBM50286157
Inchi KeyBAWQUHWZYDWDIH-QDPGVEIFSA-N
Inchi IDInChI=1S/C31H35N3O4/c1-22-10-9-15-27(20-22)32-31(37)33-28(23(2)38-21-24-11-5-3-6-12-24)30(36)34-18-16-26(17-19-34)29(35)25-13-7-4-8-14-25/h3-15,20,23,26,28H,16-19,21H2,1-2H3,(H2,32,33,37)/t23-,28-/m1/s1
PubChem CID44334438
ChEMBLCHEMBL321800
IUPHARN/A
BindingDB50286157
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50440.0 nM, Bioorg. Med. Chem. Lett., (1995) 5:24:3057BindingDB,ChEMBL

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