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GPCR

NameGastrin/cholecystokinin type B receptor
SpeciesMus musculus (Mouse)
GeneCckbr
SynonymCHOLREC
Cholecystokinin-2 receptor
CCK2-R
CCK2 receptor
CCK-BR
[ Show all ]
DiseaseN/A for non-human GPCRs
Length453
Amino acid sequenceMDLLKLNRSLQGPGPGSGSSLCRPGVSLLNSSSAGNLSCETPRIRGTGTRELELTIRITLYAVIFLMSVGGNVLIIVVLGLSRRLRTVTNAFLLSLAVSDLLLAVACMPFTLLPNLMGTFIFGTVICKAVSYLMGVSVSVSTLNLAAIALERYSAICRPLQARVWQTRSHAARVILATWLLSGLLMVPYPVYTVVQPVGPRILQCMHLWPSERVQQMWSVLLLILLFFIPGVVMAVAYGLISRELYLGLRFDGDNDSETQSRVRNQGGLPGGAAAPGPVHQNGGCRHVTSLTGEDSDGCYVQLPRSRLEMTTLTTPTTGPGPGPRPNQAKLLAKKRVVRMLLVIVLLFFVCWLPVYSANTWRAFDGPGARRALAGAPISFIHLLSYTSACANPLVYCFMHRRFRQACLDTCARCCPRPPRARPRPLPDEDPPTPSIASLSRLSYTTISTLGPG
UniProtP56481
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2854
IUPHAR77
DrugBankN/A

Ligand

NameCHEMBL434113
Molecular formulaC40H46N4O5
IUPAC name2-adamantyl N-[4-[2-(4-hydroxyphenyl)ethylamino]-2-(1H-indol-3-ylmethyl)-1,4-dioxo-1-(2-phenylethylamino)butan-2-yl]carbamate
Molecular weight662.831
Hydrogen bond acceptor5
Hydrogen bond donor5
XlogP6.4
SynonymsBDBM50281742
[2-[2-(4-Hydroxy-phenyl)-ethylcarbamoyl]-1-(1H-indol-3-ylmethyl)-1-phenethylcarbamoyl-ethyl]-carbamic acid adamantan-2-yl ester
Inchi KeyCIFWKDWGIILVDN-UHFFFAOYSA-N
Inchi IDInChI=1S/C40H46N4O5/c45-33-12-10-27(11-13-33)14-16-41-36(46)24-40(23-32-25-43-35-9-5-4-8-34(32)35,38(47)42-17-15-26-6-2-1-3-7-26)44-39(48)49-37-30-19-28-18-29(21-30)22-31(37)20-28/h1-13,25,28-31,37,43,45H,14-24H2,(H,41,46)(H,42,47)(H,44,48)
PubChem CID44382561
ChEMBLCHEMBL434113
IUPHARN/A
BindingDB50281742
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
IC501300.0 nM, Bioorg. Med. Chem. Lett., (1993) 3:5:889BindingDB,ChEMBL

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