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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

NameCHEMBL324557
Molecular formulaC32H36N2O5
IUPAC name(3R,5S)-4-acetyl-3-(1-adamantylmethyl)-1-benzyl-2,7-dioxo-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylic acid
Molecular weight528.649
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.3
Synonyms(3R,5S)-1-Benzyl-3-(1-adamantylmethyl)-4-acetyl-2,7-dioxo-2,3,4,5,6,7-hexahydro-1H-1,4-benzodiazonine-5-carboxylic acid
SCHEMBL8066431
Inchi KeyCJXMKJCVLPYHOA-ATBKSVPBSA-N
Inchi IDInChI=1S/C32H36N2O5/c1-20(35)34-27(31(38)39)14-29(36)25-9-5-6-10-26(25)33(19-21-7-3-2-4-8-21)30(37)28(34)18-32-15-22-11-23(16-32)13-24(12-22)17-32/h2-10,22-24,27-28H,11-19H2,1H3,(H,38,39)/t22?,23?,24?,27-,28+,32?/m0/s1
PubChem CID10839906
ChEMBLCHEMBL324557
IUPHARN/A
BindingDBN/A
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
pKB4.88 -PMID11000006ChEMBL

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