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Ligand

NameCHEMBL3361403
Molecular formulaC21H25N3O4
IUPAC name2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]-methylamino]-3-phenylpropanoyl]amino]acetic acid
Molecular weight383.448
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP-0.5
SynonymsBDBM50028020
Inchi KeyBCNJSUNOVYCMEL-ROUUACIJSA-N
Inchi IDInChI=1S/C21H25N3O4/c1-24(21(28)17(22)12-15-8-4-2-5-9-15)18(20(27)23-14-19(25)26)13-16-10-6-3-7-11-16/h2-11,17-18H,12-14,22H2,1H3,(H,23,27)(H,25,26)/t17-,18-/m0/s1
PubChem CID118724963
ChEMBLCHEMBL3361403
IUPHARN/A
BindingDB50028020
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
442472Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465

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