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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

NameCHEMBL105527
Molecular formulaC30H33N3O3
IUPAC name1-[(2R)-1-(4-benzoylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]-3-(3-methylphenyl)urea
Molecular weight483.612
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP5.0
SynonymsBDBM50286149
1-[(R)-1-(4-Benzoyl-piperidine-1-carbonyl)-3-phenyl-propyl]-3-m-tolyl-urea
Inchi KeyAZOSVFXKJSCQGZ-HHHXNRCGSA-N
Inchi IDInChI=1S/C30H33N3O3/c1-22-9-8-14-26(21-22)31-30(36)32-27(16-15-23-10-4-2-5-11-23)29(35)33-19-17-25(18-20-33)28(34)24-12-6-3-7-13-24/h2-14,21,25,27H,15-20H2,1H3,(H2,31,32,36)/t27-/m1/s1
PubChem CID44334434
ChEMBLCHEMBL105527
IUPHARN/A
BindingDB50286149
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC502200.0 nM, Bioorg. Med. Chem. Lett., (1995) 5:24:3057BindingDB,ChEMBL

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