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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

NameCHEMBL293490
Molecular formulaC33H39N5O6S
IUPAC name3-[[(3R,5R)-1-[2-(tert-butylamino)-2-oxoethyl]-8-methyl-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-3-yl]carbamoylamino]-N-ethylsulfonylbenzamide
Molecular weight633.764
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP3.8
SynonymsBDBM50285005
N-tert-Butyl-2-{(3R,5R)-3-[3-(3-ethanesulfonylaminocarbonyl-phenyl)-ureido]-8-methyl-2-oxo-5-phenyl-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl}-acetamide
Inchi KeyARYXAMNDWNZMBO-KAYWLYCHSA-N
Inchi IDInChI=1S/C33H39N5O6S/c1-6-45(43,44)37-30(40)23-13-10-14-24(18-23)34-32(42)35-27-19-26(22-11-8-7-9-12-22)25-16-15-21(2)17-28(25)38(31(27)41)20-29(39)36-33(3,4)5/h7-18,26-27H,6,19-20H2,1-5H3,(H,36,39)(H,37,40)(H2,34,35,42)/t26-,27-/m1/s1
PubChem CID44301037
ChEMBLCHEMBL293490
IUPHARN/A
BindingDB50285005
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC501.0 nM, Bioorg. Med. Chem. Lett., (1995) 5:17:1933BindingDB,ChEMBL

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