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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

NameCHEMBL390276
Molecular formulaC32H32N4O5
IUPAC name3-[[2-[5-cyclohexyl-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-1,3,4-benzotriazepin-3-yl]acetyl]amino]benzoic acid
Molecular weight552.631
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP5.4
SynonymsSCHEMBL3910925
BDBM50411337
Inchi KeyAZYWHZJBCDCHPW-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H32N4O5/c1-21-10-5-6-15-25(21)28(37)19-35-27-17-8-7-16-26(27)30(22-11-3-2-4-12-22)34-36(32(35)41)20-29(38)33-24-14-9-13-23(18-24)31(39)40/h5-10,13-18,22H,2-4,11-12,19-20H2,1H3,(H,33,38)(H,39,40)
PubChem CID16732753
ChEMBLCHEMBL390276
IUPHARN/A
BindingDB50411337
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
Ki7.586 nMPMID17536796ChEMBL
Ki7.6 nMPMID17536796BindingDB

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