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Ligand

NameCHEMBL91069
Molecular formulaC26H29N3O5
IUPAC name3-[[4-[(2-butyl-1,4-dioxo-2,3-diazaspiro[4.4]nonan-3-yl)methyl]benzoyl]amino]benzoic acid
Molecular weight463.534
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.9
SynonymsBDBM50089994
3-[4-(3-Butyl-1,4-dioxo-2,3-diaza-spiro[4.4]non-2-ylmethyl)-benzoylamino]-benzoic acid
3-[4-(3-Butyl-1,4-dioxo-2,3-diazaspiro[4.4]nonane-2-ylmethyl)benzoylamino]benzoic acid
Inchi KeyAIBRDMDDXILAQI-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H29N3O5/c1-2-3-15-28-24(33)26(13-4-5-14-26)25(34)29(28)17-18-9-11-19(12-10-18)22(30)27-21-8-6-7-20(16-21)23(31)32/h6-12,16H,2-5,13-15,17H2,1H3,(H,27,30)(H,31,32)
PubChem CID10623969
ChEMBLCHEMBL91069
IUPHARN/A
BindingDB50089994
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6083Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359

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