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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

NameCHEMBL269790
Molecular formulaC28H34N4O4
IUPAC name3-[[2-[5-cyclohexyl-1-(3-methylbutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetyl]amino]benzoic acid
Molecular weight490.604
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.3
SynonymsBDBM50002884
SCHEMBL3914963
Inchi KeyBYGRIQRULBMRSE-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H34N4O4/c1-19(2)15-16-31-24-14-7-6-13-23(24)26(20-9-4-3-5-10-20)30-32(28(31)36)18-25(33)29-22-12-8-11-21(17-22)27(34)35/h6-8,11-14,17,19-20H,3-5,9-10,15-16,18H2,1-2H3,(H,29,33)(H,34,35)
PubChem CID16731870
ChEMBLCHEMBL269790
IUPHARN/A
BindingDB50002884
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki>10000.0 nMPMID17536796BindingDB,ChEMBL

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