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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

NameCHEMBL313756
Molecular formulaC40H47N5O6S
IUPAC name2-adamantyl N-[(2R)-1-[[(2S)-2-[3-(benzenesulfonamido)propanoylamino]-2-phenylethyl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamate
Molecular weight725.905
Hydrogen bond acceptor7
Hydrogen bond donor5
XlogP5.4
SynonymsN/A
Inchi KeyAXEWWYOJDKJHAO-JMPYQMFUSA-N
Inchi IDInChI=1S/C40H47N5O6S/c1-40(23-31-24-41-34-15-9-8-14-33(31)34,45-39(48)51-37-29-19-26-18-27(21-29)22-30(37)20-26)38(47)42-25-35(28-10-4-2-5-11-28)44-36(46)16-17-43-52(49,50)32-12-6-3-7-13-32/h2-15,24,26-27,29-30,35,37,41,43H,16-23,25H2,1H3,(H,42,47)(H,44,46)(H,45,48)/t26?,27?,29?,30?,35-,37?,40-/m1/s1
PubChem CID73349790
ChEMBLCHEMBL313756
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
IC50300.0 nMPMID1635058ChEMBL

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