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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

NameCHEMBL476531
Molecular formulaC32H29ClN4O2
IUPAC name[2-(4-chlorophenyl)-1-(3-ethoxyphenyl)imidazol-4-yl]-(4-naphthalen-2-ylpiperazin-1-yl)methanone
Molecular weight537.06
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP6.9
SynonymsBDBM50263062
SCHEMBL3127632
(2-(4-chlorophenyl)-1-(3-ethoxyphenyl)-1H-imidazol-4-yl)(4-(naphthalen-2-yl)piperazin-1-yl)methanone
Inchi KeyDHORIKABYLAAOE-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H29ClN4O2/c1-2-39-29-9-5-8-28(21-29)37-22-30(34-31(37)24-10-13-26(33)14-11-24)32(38)36-18-16-35(17-19-36)27-15-12-23-6-3-4-7-25(23)20-27/h3-15,20-22H,2,16-19H2,1H3
PubChem CID24785180
ChEMBLCHEMBL476531
IUPHARN/A
BindingDB50263062
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
Activity119.0 %PMID18614364ChEMBL
EC505.5 nMPMID18614364BindingDB,ChEMBL
IC505.6 nMPMID18614364BindingDB,ChEMBL

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