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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

NameCHEMBL422981
Molecular formulaC45H45N3O5
IUPAC name4-[[(2S)-2-[[16-(1-adamantylmethylcarbamoyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl]amino]-3-phenylpropanoyl]amino]benzoic acid
Molecular weight707.871
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP7.1
SynonymsN/A
Inchi KeyBHJMRSIHXIHXAS-LJHSRLDXSA-N
Inchi IDInChI=1S/C45H45N3O5/c49-41(47-31-16-14-30(15-17-31)44(52)53)36(21-26-8-2-1-3-9-26)48-43(51)40-38-34-12-6-4-10-32(34)37(33-11-5-7-13-35(33)38)39(40)42(50)46-25-45-22-27-18-28(23-45)20-29(19-27)24-45/h1-17,27-29,36-40H,18-25H2,(H,46,50)(H,47,49)(H,48,51)(H,52,53)/t27?,28?,29?,36-,37?,38?,39?,40?,45?/m0/s1
PubChem CID10794888
ChEMBLCHEMBL422981
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
Ki2137.96 nMPMID7473557ChEMBL

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