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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 20
Molecular formulaC37H36N4O4
IUPAC name2-[3-(1H-indol-3-ylmethyl)-3-methyl-2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl]-N-(4-methoxyphenyl)-N-propan-2-ylacetamide
Molecular weight600.719
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP6.4
SynonymsCHEMBL316164
SCHEMBL8804823
BDBM85153
AHYNKYYQUAOMCJ-UHFFFAOYSA-N
2-[3-(1H-indol-3-ylmethyl)-3-methyl-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-yl]-N-isopropyl-N-(4-methoxy-phenyl) acetamide
[ Show all ]
Inchi KeyAHYNKYYQUAOMCJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C37H36N4O4/c1-25(2)40(28-18-20-29(45-4)21-19-28)34(42)24-39-32-16-10-11-17-33(32)41(27-12-6-5-7-13-27)36(44)37(3,35(39)43)22-26-23-38-31-15-9-8-14-30(26)31/h5-21,23,25,38H,22,24H2,1-4H3
PubChem CID10817395
ChEMBLCHEMBL316164
IUPHARN/A
BindingDB85153
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
IC5017378.0 nMPMID8709093BindingDB
IC5017378.0 nMPMID9276016, PMID8709093ChEMBL
Ki<10000.0 nMPMID9276016BindingDB
Ki8.32 nMPMID9276016BindingDB

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