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Ligand

NameMLS002603684
Molecular formulaC30H40N2O6
IUPAC nameN-[2-(tert-butylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[[(2R,5S)-5-[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]oxolan-2-yl]methyl]benzamide
Molecular weight524.658
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.6
SynonymsCHEMBL1713485
HMS3096F10
UPCMLD23AJKM008639:001
SMR001522414
2-(4-Methoxyphenyl)-2-[benzoyl[[(2S,2'S)-octahydro-5'alpha-(hydroxymethyl)-2,2'-bifuran-5alpha-yl]methyl]amino]-N-tert-butylacetamide
Inchi KeyAEHHIWZVERCFNZ-HKQFDGPLSA-N
Inchi IDInChI=1S/C30H40N2O6/c1-30(2,3)31-28(34)27(20-10-12-22(36-4)13-11-20)32(29(35)21-8-6-5-7-9-21)18-23-14-16-25(37-23)26-17-15-24(19-33)38-26/h5-13,23-27,33H,14-19H2,1-4H3,(H,31,34)/t23-,24-,25+,26+,27?/m1/s1
PubChem CID42627847
ChEMBLCHEMBL1713485
IUPHARN/A
BindingDBN/A
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
463307Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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