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GPCR

NameCholecystokinin receptor type A
SpeciesCavia porcellus (Guinea pig)
GeneCCKAR
SynonymCCK-A receptor
CCK-AR
CCK1-R
Cholecystokinin-1 receptor
DiseaseN/A for non-human GPCRs
Length430
Amino acid sequenceMDVVDSLFVNGSNITSACELGFENETLFCLDRPRPSKEWQPAVQILLYSLIFLLSVLGNTLVITVLIRNKRMRTVTNIFLLSLAVSDLMLCLFCMPFNLIPSLLKDFIFGSAVCKTTTYFMGTSVSVSTFNLVAISLERYGAICKPLQSRVWQTKSHALKVIAATWCLSFTIMTPYPIYSNLVPFTKNNNQTGNMCRFLLPNDVMQQTWHTFLLLILFLIPGIVMMVAYGLISLELYQGIKFDAIQKKSAKERKTSTGSSGPMEDSDGCYLQKSRHPRKLELRQLSPSSSGSNRINRIRSSSSTANLMAKKRVIRMLIVIVVLFFLCWMPIFSANAWRAYDTVSAERHLSGTPISFILLLSYTSSCVNPIIYCFMNKRFRLGFMATFPCCPNPGTPGVRGEMGEEEEGRTTGASLSRYSYSHMSTSAPPP
UniProtQ63931
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3501
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL104958
Molecular formulaC28H34N4O6
IUPAC name[(2R)-3-(4-benzoylpiperidin-1-yl)-2-[(3-methylphenyl)carbamoylamino]-3-oxopropyl] morpholine-4-carboxylate
Molecular weight522.602
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.2
SynonymsBDBM50286177
Morpholine-4-carboxylic acid (R)-3-(4-benzoyl-piperidin-1-yl)-3-oxo-2-(3-m-tolyl-ureido)-propyl ester
Inchi KeyCLFXXEFAURLAMH-XMMPIXPASA-N
Inchi IDInChI=1S/C28H34N4O6/c1-20-6-5-9-23(18-20)29-27(35)30-24(19-38-28(36)32-14-16-37-17-15-32)26(34)31-12-10-22(11-13-31)25(33)21-7-3-2-4-8-21/h2-9,18,22,24H,10-17,19H2,1H3,(H2,29,30,35)/t24-/m1/s1
PubChem CID44334225
ChEMBLCHEMBL104958
IUPHARN/A
BindingDB50286177
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC501500.0 nM, Bioorg. Med. Chem. Lett., (1995) 5:24:3057BindingDB,ChEMBL

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