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Ligand

NameCHEMBL58605
Molecular formulaC19H25N3O5
IUPAC name2-[[(2S)-3-(1H-indol-3-yl)-1-(3-methylbutylamino)-1-oxopropan-2-yl]carbamoyloxy]acetic acid
Molecular weight375.425
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP2.5
SynonymsBDBM50289818
[(S)-2-(1H-Indol-3-yl)-1-(3-methyl-butylcarbamoyl)-ethylcarbamoyloxy]-acetic acid
Inchi KeyIIRJFVOPVAWNSL-INIZCTEOSA-N
Inchi IDInChI=1S/C19H25N3O5/c1-12(2)7-8-20-18(25)16(22-19(26)27-11-17(23)24)9-13-10-21-15-6-4-3-5-14(13)15/h3-6,10,12,16,21H,7-9,11H2,1-2H3,(H,20,25)(H,22,26)(H,23,24)/t16-/m0/s1
PubChem CID44301763
ChEMBLCHEMBL58605
IUPHARN/A
BindingDB50289818
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
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GLASS IDNameUniProtGeneSpeciesLength
134135Neuromedin-B receptorP28336NMBRHomo sapiens (Human)390

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