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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

NameCHEMBL433640
Molecular formulaC45H55N7O10
IUPAC name(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-[[(2S)-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoyl]amino]-4-oxobutanoic acid
Molecular weight853.974
Hydrogen bond acceptor10
Hydrogen bond donor8
XlogP3.9
SynonymsBDBM50002485
3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-6-[3-(4-hydroxy-phenyl)-acryloylamino]-hexanoylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-N-methyl-succinamic acid.AcOH; hydrate
Inchi KeyBERNHFOYDVXQGI-ZXLOHXMUSA-N
Inchi IDInChI=1S/C45H55N7O10/c1-45(2,3)62-44(61)51-35(25-30-27-48-33-15-9-8-14-32(30)33)42(59)49-34(16-10-11-23-47-38(54)22-19-28-17-20-31(53)21-18-28)41(58)50-36(26-39(55)56)43(60)52(4)37(40(46)57)24-29-12-6-5-7-13-29/h5-9,12-15,17-22,27,34-37,48,53H,10-11,16,23-26H2,1-4H3,(H2,46,57)(H,47,54)(H,49,59)(H,50,58)(H,51,61)(H,55,56)/b22-19+/t34-,35-,36-,37-/m0/s1
PubChem CID9962694
ChEMBLCHEMBL433640
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC50710.0 nMPMID1375964ChEMBL

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