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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

NameCHEMBL284183
Molecular formulaC40H44N6O4
IUPAC name2-[3-[[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide
Molecular weight672.83
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP5.3
SynonymsBDBM50287257
2-{3-[3-((R)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-ureido]-phenyl}-N-[3-(3-piperidin-1-ylmethyl-phenoxy)-propyl]-acetamide
Inchi KeyPMGJGWUEROWQJW-LHEWISCISA-N
Inchi IDInChI=1S/C40H44N6O4/c1-45-35-20-7-6-19-34(35)37(31-15-4-2-5-16-31)43-38(39(45)48)44-40(49)42-32-17-10-13-29(25-32)27-36(47)41-21-12-24-50-33-18-11-14-30(26-33)28-46-22-8-3-9-23-46/h2,4-7,10-11,13-20,25-26,38H,3,8-9,12,21-24,27-28H2,1H3,(H,41,47)(H2,42,44,49)/t38-/m0/s1
PubChem CID44280116
ChEMBLCHEMBL284183
IUPHARN/A
BindingDB50287257
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
IC504100.0 nM, Bioorg. Med. Chem. Lett., (1996) 6:13:1421BindingDB,ChEMBL

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