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Ligand

NameCHEMBL1202004
Molecular formulaC60H78N8O20
IUPAC name11-[2-[6-[methyl-[8-[methyl-[6-[[2-oxo-2-(6-oxo-5H-benzo[b][1,4]benzodiazepin-11-yl)ethyl]amino]hexyl]amino]octyl]amino]hexylamino]acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one;oxalic acid
Molecular weight1231.32
Hydrogen bond acceptor24
Hydrogen bond donor12
XlogPNone
SynonymsN/A
Inchi KeyLUNNTHPNJWRDSI-UHFFFAOYSA-N
Inchi IDInChI=1S/C52H70N8O4.4C2H2O4/c1-57(37-23-9-5-19-33-53-39-49(61)59-45-29-15-11-25-41(45)51(63)55-43-27-13-17-31-47(43)59)35-21-7-3-4-8-22-36-58(2)38-24-10-6-20-34-54-40-50(62)60-46-30-16-12-26-42(46)52(64)56-44-28-14-18-32-48(44)60;4*3-1(4)2(5)6/h11-18,25-32,53-54H,3-10,19-24,33-40H2,1-2H3,(H,55,63)(H,56,64);4*(H,3,4)(H,5,6)
PubChem CID49859839
ChEMBLCHEMBL1202004
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
196755Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
196754Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466
196756Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
196753Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589
196757Muscarinic acetylcholine receptor M4P08485Chrm4Rattus norvegicus (Rat)478

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