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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

NameCHEMBL105404
Molecular formulaC31H33N3O5
IUPAC namebenzyl (3R)-4-(4-benzoylpiperidin-1-yl)-3-[(3-methylphenyl)carbamoylamino]-4-oxobutanoate
Molecular weight527.621
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.0
SynonymsBDBM50286156
4-(4-Benzoyl-piperidin-1-yl)-4-(R)-oxo-3-(3-m-tolyl-ureido)-butyric acid benzyl ester
Inchi KeyCMYMFJIRDMYHDJ-HHHXNRCGSA-N
Inchi IDInChI=1S/C31H33N3O5/c1-22-9-8-14-26(19-22)32-31(38)33-27(20-28(35)39-21-23-10-4-2-5-11-23)30(37)34-17-15-25(16-18-34)29(36)24-12-6-3-7-13-24/h2-14,19,25,27H,15-18,20-21H2,1H3,(H2,32,33,38)/t27-/m1/s1
PubChem CID44334176
ChEMBLCHEMBL105404
IUPHARN/A
BindingDB50286156
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC501300.0 nM, Bioorg. Med. Chem. Lett., (1995) 5:24:3057BindingDB,ChEMBL

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