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Ligand

NameCHEMBL1253956
Molecular formulaC30H37ClN4O6
IUPAC nameN-[(2S,3R,4R,5S,6R)-2-[(4-chlorophenyl)methoxy]-5-hydroxy-6-(methoxymethyl)-4-(naphthalen-2-ylmethoxy)oxan-3-yl]-4-(diaminomethylideneamino)butanamide
Molecular weight585.098
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP2.1
SynonymsBDBM50326869
4''-Chlorobenzyl-2-Deoxy-2-(4''-guanidinobutyrylamido)-6-Omethyl-3-O-(naphth-2-yl)methyl-alpha-D-glucopyranoside
Inchi KeyAKJBLRLZAFYIJF-VNOXJOTMSA-N
Inchi IDInChI=1S/C30H37ClN4O6/c1-38-18-24-27(37)28(39-17-20-8-11-21-5-2-3-6-22(21)15-20)26(35-25(36)7-4-14-34-30(32)33)29(41-24)40-16-19-9-12-23(31)13-10-19/h2-3,5-6,8-13,15,24,26-29,37H,4,7,14,16-18H2,1H3,(H,35,36)(H4,32,33,34)/t24-,26-,27-,28-,29+/m1/s1
PubChem CID46899579
ChEMBLCHEMBL1253956
IUPHARN/A
BindingDB50326869
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
7601Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422

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