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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

NameCHEMBL355319
Molecular formulaC27H29N3O4
IUPAC nametert-butyl 2-[3-(naphthalen-1-ylcarbamoylamino)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate
Molecular weight459.546
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.6
SynonymsBDBM50281725
L007187
[3-(3-Naphthalen-1-yl-ureido)-2-oxo-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl]-acetic acid tert-butyl ester
Inchi KeyASWMJVZBNJCXGG-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H29N3O4/c1-27(2,3)34-24(31)17-30-23-14-7-5-10-19(23)15-16-22(25(30)32)29-26(33)28-21-13-8-11-18-9-4-6-12-20(18)21/h4-14,22H,15-17H2,1-3H3,(H2,28,29,33)
PubChem CID44210427
ChEMBLCHEMBL355319
IUPHARN/A
BindingDB50281725
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50150.0 nM, Bioorg. Med. Chem. Lett., (1993) 3:5:871BindingDB,ChEMBL
IC50480.0 nM, Bioorg. Med. Chem. Lett., (1993) 3:5:871BindingDB,ChEMBL

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