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Ligand

NameCHEMBL173049
Molecular formulaC30H39N5O4
IUPAC nameN-[(2S)-1-[[(2S)-1-[[(2R)-3-(1H-indol-3-yl)-1-[methyl(3-methylbutyl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
Molecular weight533.673
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP3.6
SynonymsN/A
Inchi KeyDEFOHDNYVBMDEY-ISJBWFOZSA-N
Inchi IDInChI=1S/C30H39N5O4/c1-19(2)15-16-35(5)30(39)26(17-23-18-31-25-14-10-9-13-24(23)25)34-28(37)21(4)32-27(36)20(3)33-29(38)22-11-7-6-8-12-22/h6-14,18-21,26,31H,15-17H2,1-5H3,(H,32,36)(H,33,38)(H,34,37)/t20-,21-,26+/m0/s1
PubChem CID44384068
ChEMBLCHEMBL173049
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
57717Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390

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