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Ligand

NameCHEMBL60120
Molecular formulaC22H23N3O5
IUPAC name3-[[(2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
Molecular weight409.442
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP2.2
SynonymsBDBM50289838
SCHEMBL10706467
3-[(S)-2-Benzyloxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-propionic acid
Inchi KeyGNTYQHBOBNXATQ-IBGZPJMESA-N
Inchi IDInChI=1S/C22H23N3O5/c26-20(27)10-11-23-21(28)19(12-16-13-24-18-9-5-4-8-17(16)18)25-22(29)30-14-15-6-2-1-3-7-15/h1-9,13,19,24H,10-12,14H2,(H,23,28)(H,25,29)(H,26,27)/t19-/m0/s1
PubChem CID44301686
ChEMBLCHEMBL60120
IUPHARN/A
BindingDB50289838
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
100881Neuromedin-B receptorP28336NMBRHomo sapiens (Human)390

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