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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

NameCHEMBL278217
Molecular formulaC42H47N7O5
IUPAC name2-[[2-[3-[(3-methylphenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetyl]amino]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide
Molecular weight729.882
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP5.2
SynonymsBDBM50287244
2-[2-Oxo-5-phenyl-3-(3-m-tolyl-ureido)-2,3-dihydro-benzo[e][1,4]diazepin-1-yl]-N-{[3-(3-piperidin-1-ylmethyl-phenoxy)-propylcarbamoyl]-methyl}-acetamide
Inchi KeyDNEJEXULMUZLAR-UHFFFAOYSA-N
Inchi IDInChI=1S/C42H47N7O5/c1-30-13-10-17-33(25-30)45-42(53)47-40-41(52)49(36-20-7-6-19-35(36)39(46-40)32-15-4-2-5-16-32)29-38(51)44-27-37(50)43-21-12-24-54-34-18-11-14-31(26-34)28-48-22-8-3-9-23-48/h2,4-7,10-11,13-20,25-26,40H,3,8-9,12,21-24,27-29H2,1H3,(H,43,50)(H,44,51)(H2,45,47,53)
PubChem CID44280266
ChEMBLCHEMBL278217
IUPHARN/A
BindingDB50287244
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
IC50430.0 nMBioorg. Med. Chem. Lett., (1996) 6:13:1421, BindingDB,ChEMBL

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