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GPCR

NameCholecystokinin receptor type A
SpeciesMus musculus (Mouse)
GeneCckar
SynonymCCK-A receptor
CCK-AR
CCK1 receptor
CCK1-R
cholecystokinin receptor type A
[ Show all ]
DiseaseN/A for non-human GPCRs
Length436
Amino acid sequenceMDVVDSLLMNGSNITPPCELGLENETLFCLDQPQPSKEWQSAVQILLYSFIFLLSVLGNTLVITVLIRNKRMRTVTNIFLLSLAVSDLMLCLFCMPFNLIPNLLKDFIFGSAVCKTTTYFMGTSVSVSTFNLVAISLERYGAICRPLQSRVWQTKSHALKVIAATWCLSFTIMTPYPIYSNLVPFTKNNNQTANMCRFLLPSDAMQQSWQTFLLLILFLIPGVVMVVAYGLISLELYQGIKFDASQKKSAKEKRLSSGGGGGGGSSSSRYEDSDGCYLQKSRPPRKLELQQLSTSSSGGRINRIRSSGSAANLIAKKRVIRMLIVIVVLFFLCWMPIFSANAWRAYDTVSAEKHLSGTPISFILLLSYTSSCVNPIIYCFMNKRFRLGFMATFPCCPNPGPTGVRGEVGEEEDGRTIRASLSRYSYSHMSTSAPPH
UniProtO08786
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2798
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL18727
Molecular formulaC27H30N4O2
IUPAC name7-methyl-N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Molecular weight442.563
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP3.7
Synonyms7-Methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid ((S)-1-phenethylcarbamoyl-ethyl)-amide
BDBM50280052
Inchi KeyPOTPSEYTYFJVAU-QWMSRCPPSA-N
Inchi IDInChI=1S/C27H30N4O2/c1-17(26(32)28-12-11-18-7-4-3-5-8-18)30-27(33)20-13-22-21-9-6-10-23-25(21)19(15-29-23)14-24(22)31(2)16-20/h3-10,13,15,17,20,24,29H,11-12,14,16H2,1-2H3,(H,28,32)(H,30,33)/t17-,20?,24?/m0/s1
PubChem CID44272230
ChEMBLCHEMBL18727
IUPHARN/A
BindingDB50280052
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC5012000.0 nM, Bioorg. Med. Chem. Lett., (1992) 2:1:9BindingDB,ChEMBL

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