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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

NameCHEMBL401097
Molecular formulaC40H40N4O7
IUPAC name5-[[(2S)-2-[[3-(1-adamantylmethylcarbamoyl)-8-aminonaphthalene-2-carbonyl]amino]-3-phenylpropanoyl]amino]benzene-1,3-dicarboxylic acid
Molecular weight688.781
Hydrogen bond acceptor8
Hydrogen bond donor6
XlogP5.9
SynonymsN/A
Inchi KeyDFWWCOBXEMWKLW-ODWHQZAISA-N
Inchi IDInChI=1S/C40H40N4O7/c41-33-8-4-7-26-16-31(35(45)42-21-40-18-23-9-24(19-40)11-25(10-23)20-40)32(17-30(26)33)36(46)44-34(12-22-5-2-1-3-6-22)37(47)43-29-14-27(38(48)49)13-28(15-29)39(50)51/h1-8,13-17,23-25,34H,9-12,18-21,41H2,(H,42,45)(H,43,47)(H,44,46)(H,48,49)(H,50,51)/t23?,24?,25?,34-,40?/m0/s1
PubChem CID44444931
ChEMBLCHEMBL401097
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki2511.89 nMPMID18201065ChEMBL

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