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Ligand

NameCHEMBL3343992
Molecular formulaC18H22N6O2
IUPAC name(2S)-2-[[2-amino-2-[3-(diaminomethylideneamino)phenyl]acetyl]amino]-3-phenylpropanamide
Molecular weight354.414
Hydrogen bond acceptor4
Hydrogen bond donor5
XlogP-0.3
SynonymsN/A
Inchi KeyYKCDVZGMEHGJGV-MLCCFXAWSA-N
Inchi IDInChI=1S/C18H22N6O2/c19-15(12-7-4-8-13(10-12)23-18(21)22)17(26)24-14(16(20)25)9-11-5-2-1-3-6-11/h1-8,10,14-15H,9,19H2,(H2,20,25)(H,24,26)(H4,21,22,23)/t14-,15?/m0/s1
PubChem CID118717466
ChEMBLCHEMBL3343992
IUPHARN/A
BindingDBN/A
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
458060Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322
458061Mas-related G-protein coupled receptor member X1Q8CIP3Mrgprx1Mus musculus (Mouse)322
458062Mas-related G-protein coupled receptor member X1Q8R4G1Mrgprx1Rattus norvegicus (Rat)323

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