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Ligand

NameUPCMLD04ADMT001034
Molecular formulaC31H36N2O4
IUPAC namebenzyl N-[(S)-[(1S,2R)-2-[(2R)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-1-methylcyclopropyl]-phenylmethyl]carbamate
Molecular weight500.639
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP5.2
SynonymsNCGC00074201-01
AC1MMZUH
CHEMBL1318400
SDCCGMLS-0091614.P001
benzyl N-[(S)-[(1S,2R)-2-[(2R)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-1-methylcyclopropyl]-phenylmethyl]carbamate
[ Show all ]
Inchi KeyACGNORVVGCXOJV-WDNBFFNVSA-N
Inchi IDInChI=1S/C31H36N2O4/c1-22(29(35)32-26(20-34)18-23-12-6-3-7-13-23)27-19-31(27,2)28(25-16-10-5-11-17-25)33-30(36)37-21-24-14-8-4-9-15-24/h3-17,22,26-28,34H,18-21H2,1-2H3,(H,32,35)(H,33,36)/t22-,26-,27-,28-,31+/m1/s1
PubChem CID3247265
ChEMBLCHEMBL1318400
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1545Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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