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GPCR

NameCholecystokinin receptor type A
SpeciesHomo sapiens (Human)
GeneCCKAR
Synonymcholecystokinin-1 receptor
CCK1-R
CCK1 receptor
CCK-AR
CCK-A receptor
[ Show all ]
DiseasePancreatic cancer; Obesity
Eating disorder
Pancreatic disease
Gallstone prophylaxis; Obesity
Gastrointestinal disease
[ Show all ]
Length428
Amino acid sequenceMDVVDSLLVNGSNITPPCELGLENETLFCLDQPRPSKEWQPAVQILLYSLIFLLSVLGNTLVITVLIRNKRMRTVTNIFLLSLAVSDLMLCLFCMPFNLIPNLLKDFIFGSAVCKTTTYFMGTSVSVSTFNLVAISLERYGAICKPLQSRVWQTKSHALKVIAATWCLSFTIMTPYPIYSNLVPFTKNNNQTANMCRFLLPNDVMQQSWHTFLLLILFLIPGIVMMVAYGLISLELYQGIKFEASQKKSAKERKPSTTSSGKYEDSDGCYLQKTRPPRKLELRQLSTGSSSRANRIRSNSSAANLMAKKRVIRMLIVIVVLFFLCWMPIFSANAWRAYDTASAERRLSGTPISFILLLSYTSSCVNPIIYCFMNKRFRLGFMATFPCCPNPGPPGARGEVGEEEEGGTTGASLSRFSYSHMSASVPPQ
UniProtP32238
Protein Data Bank1d6g
GPCR-HGmod modelP32238
3D structure modelThis structure is from PDB ID 1d6g.
BioLiPBL0007611
Therapeutic Target DatabaseT28330
ChEMBLCHEMBL1901
IUPHAR76
DrugBankBE0000402

Ligand

NameCHEMBL504707
Molecular formulaC35H35N5O4
IUPAC name[(2S)-1-[1-(3-ethoxyphenyl)-2-(4-methylphenyl)imidazole-4-carbonyl]-4-quinolin-3-ylpiperazin-2-yl]methyl acetate
Molecular weight589.696
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP5.6
SynonymsBDBM50245200
SCHEMBL2924388
((S)-1-(1-(3-ethoxyphenyl)-2-p-tolyl-1H-imidazole-4-carbonyl)-4-(quinolin-3-yl)piperazin-2-yl)methyl acetate
Inchi KeyDAIOBWATIGWQSW-PMERELPUSA-N
Inchi IDInChI=1S/C35H35N5O4/c1-4-43-31-10-7-9-28(19-31)40-22-33(37-34(40)26-14-12-24(2)13-15-26)35(42)39-17-16-38(21-30(39)23-44-25(3)41)29-18-27-8-5-6-11-32(27)36-20-29/h5-15,18-20,22,30H,4,16-17,21,23H2,1-3H3/t30-/m0/s1
PubChem CID44562311
ChEMBLCHEMBL504707
IUPHARN/A
BindingDB50245200
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
Activity118.0 %PMID18684621ChEMBL
EC500.77 nMPMID18684621BindingDB,ChEMBL
IC500.47 nMPMID18684621BindingDB,ChEMBL

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