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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

NameCHEMBL420459
Molecular formulaC32H42N4O3
IUPAC name1-[1,5-bis(1-cyclopentylpropan-2-yl)-2,4-dioxo-1,5-benzodiazepin-3-yl]-3-phenylurea
Molecular weight530.713
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP7.4
SynonymsBDBM50214410
Inchi KeyBFTFDRAHMJBMSG-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H42N4O3/c1-22(20-24-12-6-7-13-24)35-27-18-10-11-19-28(27)36(23(2)21-25-14-8-9-15-25)31(38)29(30(35)37)34-32(39)33-26-16-4-3-5-17-26/h3-5,10-11,16-19,22-25,29H,6-9,12-15,20-21H2,1-2H3,(H2,33,34,39)
PubChem CID44331524
ChEMBLCHEMBL420459
IUPHARN/A
BindingDB50214410
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
Ki16.98 nMBioorg. Med. Chem. Lett., (1996) 6:24:2957ChEMBL
Ki17.0 nMN/ABindingDB

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