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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

NameCCK-A Agonist 34
Molecular formulaC35H32FN5O4
IUPAC name2-[3-[(7-fluoro-2H-indazol-3-yl)methyl]-2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl]-N-(4-methoxyphenyl)-N-propan-2-ylacetamide
Molecular weight605.67
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.7
SynonymsCHEMBL406790
BDBM85143
Inchi KeyAHKXHAMSXLISEI-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H32FN5O4/c1-22(2)40(24-16-18-25(45-3)19-17-24)32(42)21-39-30-14-7-8-15-31(30)41(23-10-5-4-6-11-23)35(44)27(34(39)43)20-29-26-12-9-13-28(36)33(26)38-37-29/h4-19,22,27H,20-21H2,1-3H3,(H,37,38)
PubChem CID10603714
ChEMBLCHEMBL406790
IUPHARN/A
BindingDB85143
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC501047.13 nMPMID9276016ChEMBL
Ki20.89 nMPMID9276016BindingDB
Ki1047.13 nMPMID9276016BindingDB

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