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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

NameCHEMBL354363
Molecular formulaC33H43N5O5
IUPAC nametert-butyl N-[(2S)-1-[[(2S)-1-[(3S)-3-benzyl-5-oxopiperazin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Molecular weight589.737
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP4.8
SynonymsBDBM50284147
[(S)-1-[(S)-1-((S)-3-Benzyl-5-oxo-piperazine-1-carbonyl)-3-methyl-butylcarbamoyl]-2-(1H-indol-3-yl)-ethyl]-carbamic acid tert-butyl ester
Inchi KeyNKQUZOWPOCJXRE-WIRXVTQYSA-N
Inchi IDInChI=1S/C33H43N5O5/c1-21(2)15-28(31(41)38-19-24(35-29(39)20-38)16-22-11-7-6-8-12-22)36-30(40)27(37-32(42)43-33(3,4)5)17-23-18-34-26-14-10-9-13-25(23)26/h6-14,18,21,24,27-28,34H,15-17,19-20H2,1-5H3,(H,35,39)(H,36,40)(H,37,42)/t24-,27-,28-/m0/s1
PubChem CID44382747
ChEMBLCHEMBL354363
IUPHARN/A
BindingDB50284147
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50270.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:7:867BindingDB,ChEMBL

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