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GPCR

NameGastrin/cholecystokinin type B receptor
SpeciesRattus norvegicus (Rat)
GeneCckbr
SynonymCHOLREC
Cholecystokinin-2 receptor
CCK2-R
CCK2 receptor
CCK-BR
[ Show all ]
DiseaseN/A for non-human GPCRs
Length452
Amino acid sequenceMELLKLNRSVQGPGPGSGSSLCRPGVSLLNSSSAGNLSCDPPRIRGTGTRELEMAIRITLYAVIFLMSVGGNVLIIVVLGLSRRLRTVTNAFLLSLAVSDLLLAVACMPFTLLPNLMGTFIFGTVICKAISYLMGVSVSVSTLNLVAIALERYSAICRPLQARVWQTRSHAARVILATWLLSGLLMVPYPVYTMVQPVGPRVLQCMHRWPSARVQQTWSVLLLLLLFFIPGVVIAVAYGLISRELYLGLHFDGENDSETQSRARNQGGLPGGAAPGPVHQNGGCRPVTSVAGEDSDGCCVQLPRSRLEMTTLTTPTPGPVPGPRPNQAKLLAKKRVVRMLLVIVLLFFLCWLPVYSVNTWRAFDGPGAQRALSGAPISFIHLLSYVSACVNPLVYCFMHRRFRQACLDTCARCCPRPPRARPQPLPDEDPPTPSIASLSRLSYTTISTLGPG
UniProtP30553
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3508
IUPHAR77
DrugBankN/A

Ligand

NameCHEMBL26167
Molecular formulaC41H43N5O7
IUPAC name5-[[3-[6-(1-adamantylmethylcarbamoyl)-3H-benzimidazole-5-carbonyl]-1,2,4,5,6,7-hexahydro-3-benzazonine-2-carbonyl]amino]benzene-1,3-dicarboxylic acid
Molecular weight717.823
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP5.8
SynonymsBDBM50421387
Inchi KeyBUENLNVBYHVBJC-UHFFFAOYSA-N
Inchi IDInChI=1S/C41H43N5O7/c47-36(42-21-41-18-23-9-24(19-41)11-25(10-23)20-41)31-16-33-34(44-22-43-33)17-32(31)38(49)46-8-4-3-6-26-5-1-2-7-27(26)15-35(46)37(48)45-30-13-28(39(50)51)12-29(14-30)40(52)53/h1-2,5,7,12-14,16-17,22-25,35H,3-4,6,8-11,15,18-21H2,(H,42,47)(H,43,44)(H,45,48)(H,50,51)(H,52,53)
PubChem CID9987406
ChEMBLCHEMBL26167
IUPHARN/A
BindingDB50421387
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
pKB9.13 -Bioorg. Med. Chem. Lett., (1997) 7:10:1289ChEMBL

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