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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

NameCHEMBL172135
Molecular formulaC35H45N5O7
IUPAC name2-[(2R,5S)-5-benzyl-1-[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylpentanoyl]-3-oxopiperazin-2-yl]acetic acid
Molecular weight647.773
Hydrogen bond acceptor7
Hydrogen bond donor5
XlogP4.3
SynonymsBDBM50284150
((2R,5S)-5-Benzyl-1-{(S)-2-[(S)-2-tert-butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-4-methyl-pentanoyl}-3-oxo-piperazin-2-yl)-acetic acid
Inchi KeyQKEXHCTVRMIPST-HSNHEXMOSA-N
Inchi IDInChI=1S/C35H45N5O7/c1-21(2)15-28(33(45)40-20-24(16-22-11-7-6-8-12-22)37-32(44)29(40)18-30(41)42)38-31(43)27(39-34(46)47-35(3,4)5)17-23-19-36-26-14-10-9-13-25(23)26/h6-14,19,21,24,27-29,36H,15-18,20H2,1-5H3,(H,37,44)(H,38,43)(H,39,46)(H,41,42)/t24-,27-,28-,29+/m0/s1
PubChem CID44382583
ChEMBLCHEMBL172135
IUPHARN/A
BindingDB50284150
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC502800.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:7:867BindingDB,ChEMBL

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