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Ligand

NameCHEMBL62018
Molecular formulaC19H26N4O5
IUPAC name3-[[(2S)-2-(4-aminobutoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]propanoic acid
Molecular weight390.44
Hydrogen bond acceptor6
Hydrogen bond donor5
XlogP-1.8
SynonymsBDBM50289845
3-[(S)-2-(4-Amino-butoxycarbonylamino)-3-(1H-indol-3-yl)-propionylamino]-propionic acid
Inchi KeyIGMCDZMFXYOHGY-INIZCTEOSA-N
Inchi IDInChI=1S/C19H26N4O5/c20-8-3-4-10-28-19(27)23-16(18(26)21-9-7-17(24)25)11-13-12-22-15-6-2-1-5-14(13)15/h1-2,5-6,12,16,22H,3-4,7-11,20H2,(H,21,26)(H,23,27)(H,24,25)/t16-/m0/s1
PubChem CID44301950
ChEMBLCHEMBL62018
IUPHARN/A
BindingDB50289845
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
132661Neuromedin-B receptorP28336NMBRHomo sapiens (Human)390

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