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GPCR

NameCholecystokinin receptor type A
SpeciesRattus norvegicus (Rat)
GeneCckar
SynonymCCK-A receptor
CCK-AR
CCK1 receptor
CCK1-R
cholecystokinin receptor type A
[ Show all ]
DiseaseN/A for non-human GPCRs
Length444
Amino acid sequenceMSHSPARQHLVESSRMDVVDSLLMNGSNITPPCELGLENETLFCLDQPQPSKEWQSALQILLYSIIFLLSVLGNTLVITVLIRNKRMRTVTNIFLLSLAVSDLMLCLFCMPFNLIPNLLKDFIFGSAVCKTTTYFMGTSVSVSTFNLVAISLERYGAICRPLQSRVWQTKSHALKVIAATWCLSFTIMTPYPIYSNLVPFTKNNNQTANMCRFLLPSDAMQQSWQTFLLLILFLLPGIVMVVAYGLISLELYQGIKFDASQKKSAKEKKPSTGSSTRYEDSDGCYLQKSRPPRKLELQQLSSGSGGSRLNRIRSSSSAANLIAKKRVIRMLIVIVVLFFLCWMPIFSANAWRAYDTVSAEKHLSGTPISFILLLSYTSSCVNPIIYCFMNKRFRLGFMATFPCCPNPGPPGVRGEVGEEEDGRTIRALLSRYSYSHMSTSAPPP
UniProtP30551
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2871
IUPHAR76
DrugBankN/A

Ligand

NameCHEMBL343436
Molecular formulaC30H34N4O6
IUPAC name(3S)-3-[[(2S,5S,11bR)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indole-5-carbonyl]amino]-4-phenylbutanoic acid
Molecular weight546.624
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP3.2
SynonymsBDBM50073718
(S)-3-[((2S,5S,11bR)-2-tert-Butoxycarbonylamino-3-oxo-2,3,5,6,11,11b-hexahydro-1H-indolizino[8,7-b]indole-5-carbonyl)-amino]-4-phenyl-butyric acid
Inchi KeyFORFDJKYIXRELO-ABQRKTDGSA-N
Inchi IDInChI=1S/C30H34N4O6/c1-30(2,3)40-29(39)33-22-16-23-26-20(19-11-7-8-12-21(19)32-26)15-24(34(23)28(22)38)27(37)31-18(14-25(35)36)13-17-9-5-4-6-10-17/h4-12,18,22-24,32H,13-16H2,1-3H3,(H,31,37)(H,33,39)(H,35,36)/t18-,22-,23+,24-/m0/s1
PubChem CID44362700
ChEMBLCHEMBL343436
IUPHARN/A
BindingDB50073718
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nMPMID9990454BindingDB,ChEMBL

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