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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

NameCHEMBL135350
Molecular formulaC46H37N3O7
IUPAC name5-[[(2S)-2-[[16-(naphthalen-1-ylmethylcarbamoyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl]amino]-3-phenylpropanoyl]amino]benzene-1,3-dicarboxylic acid
Molecular weight743.816
Hydrogen bond acceptor7
Hydrogen bond donor5
XlogP6.5
SynonymsN/A
Inchi KeyCORWQTZBWVHZCQ-PLKKMKAISA-N
Inchi IDInChI=1S/C46H37N3O7/c50-42(48-31-23-29(45(53)54)22-30(24-31)46(55)56)37(21-26-11-2-1-3-12-26)49-44(52)41-39-35-19-8-6-17-33(35)38(34-18-7-9-20-36(34)39)40(41)43(51)47-25-28-15-10-14-27-13-4-5-16-32(27)28/h1-20,22-24,37-41H,21,25H2,(H,47,51)(H,48,50)(H,49,52)(H,53,54)(H,55,56)/t37-,38?,39?,40?,41?/m0/s1
PubChem CID10747599
ChEMBLCHEMBL135350
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki489.78 nMPMID7473557ChEMBL

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