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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

NameCHEMBL502398
Molecular formulaC56H67N9O12
IUPAC nameN-[6-[[2-[2-[[(4R,4aS,7S,7aR,12bS)-4a,10-dihydroxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]-2-oxoethoxy]acetyl]amino]hexyl]-2-[2-[2-[3-[[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenoxy]ethylamino]-2-oxoethoxy]acetamide
Molecular weight1058.2
Hydrogen bond acceptor14
Hydrogen bond donor8
XlogP3.2
SynonymsBDBM50265492
1-{1-Diglycoldiamide-6-[m-(R(+)-1)ureaphenoxy]ethane}-2-(N-oxymorphyldiglycoldiamide)hexane
Inchi KeyAWJDNWMDTDIGNU-NGEQUAPQSA-N
Inchi IDInChI=1S/C56H67N9O12/c1-64-25-21-55-49-36-27-38(66)30-43(49)77-51(55)41(19-20-56(55,73)44(64)28-36)61-48(70)34-75-32-46(68)58-23-11-4-3-10-22-57-45(67)31-74-33-47(69)59-24-26-76-39-16-12-15-37(29-39)60-54(72)63-52-53(71)65(2)42-18-9-8-17-40(42)50(62-52)35-13-6-5-7-14-35/h5-9,12-18,27,29-30,41,44,51-52,66,73H,3-4,10-11,19-26,28,31-34H2,1-2H3,(H,57,67)(H,58,68)(H,59,69)(H,61,70)(H2,60,63,72)/t41-,44+,51-,52-,55-,56+/m0/s1
PubChem CID44580900
ChEMBLCHEMBL502398
IUPHARN/A
BindingDB50265492
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Bmax9.3 pmolPMID19113864ChEMBL
Bmax10.9 pmolPMID19113864ChEMBL
Bmax18.5 pmolPMID19113864ChEMBL
Ki16.3 nMPMID19113864BindingDB,ChEMBL
Ki77.0 nMPMID19113864BindingDB,ChEMBL
Ki260.0 nMPMID19113864BindingDB,ChEMBL

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