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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameCHEMBL1202003
Molecular formulaC67H80N10O6
IUPAC name11-[2-[6-[8-[6-[bis[2-oxo-2-(6-oxo-5H-benzo[b][1,4]benzodiazepin-11-yl)ethyl]amino]hexyl-methylamino]octyl-methylamino]hexylamino]acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one
Molecular weight1121.44
Hydrogen bond acceptor10
Hydrogen bond donor4
XlogP9.9
SynonymsAM-172
CHEMBL405739
BDBM50408530
Inchi KeyDFENSRVTFFUFPB-UHFFFAOYSA-N
Inchi IDInChI=1S/C67H80N10O6/c1-72(44-26-8-5-23-41-68-47-62(78)75-56-35-17-11-29-50(56)65(81)69-53-32-14-20-38-59(53)75)42-24-6-3-4-7-25-43-73(2)45-27-9-10-28-46-74(48-63(79)76-57-36-18-12-30-51(57)66(82)70-54-33-15-21-39-60(54)76)49-64(80)77-58-37-19-13-31-52(58)67(83)71-55-34-16-22-40-61(55)77/h11-22,29-40,68H,3-10,23-28,41-49H2,1-2H3,(H,69,81)(H,70,82)(H,71,83)
PubChem CID11766733
ChEMBLN/A
IUPHARN/A
BindingDB50408530
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.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
58488Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
58489Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
58487Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589
459759Muscarinic acetylcholine receptor M4P08485Chrm4Rattus norvegicus (Rat)478

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