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GPCR

NameMuscarinic acetylcholine receptor M4
SpeciesBos taurus (Bovine)
GeneCHRM4
SynonymN/A
DiseaseN/A for non-human GPCRs
Length126
Amino acid sequenceMKQSVKKPPPPGDTTVRGELPNGKLEEAPPPVLPPPPRPMADKDTSNESSSGSATQNTKERPPTELSTTEATTPATPAPPLQPRTLNPASKWSKIQIVTKQTGNECVTAIEIVPATPAGMRPAANV
UniProtP41986
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLN/A
IUPHARN/A
DrugBankN/A

Ligand

NameTripitramine
Molecular formulaC64H77N13O6
IUPAC name11-[2-[6-[8-[6-[bis[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]amino]hexyl-methylamino]octyl-methylamino]hexylamino]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Molecular weight1124.41
Hydrogen bond acceptor13
Hydrogen bond donor4
XlogP7.7
SynonymsGTPL361
CAS_132947
PDSP1_000934
11-[2-[6-[8-[6-[bis[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]amino]hexyl-methylamino]octyl-methylamino]hexylamino]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
D07GPQ
[ Show all ]
Inchi KeyYUJOQEAGGUIMED-UHFFFAOYSA-N
Inchi IDInChI=1S/C64H77N13O6/c1-72(41-20-8-5-17-35-65-44-56(78)75-53-32-14-11-26-47(53)62(81)69-50-29-23-36-66-59(50)75)39-18-6-3-4-7-19-40-73(2)42-21-9-10-22-43-74(45-57(79)76-54-33-15-12-27-48(54)63(82)70-51-30-24-37-67-60(51)76)46-58(80)77-55-34-16-13-28-49(55)64(83)71-52-31-25-38-68-61(52)77/h11-16,23-34,36-38,65H,3-10,17-22,35,39-46H2,1-2H3,(H,69,81)(H,70,82)(H,71,83)
PubChem CID132947
ChEMBLCHEMBL265256
IUPHAR361
BindingDB82423
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki2.39 nMPMID9834968PDSP

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