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Ligand

NameUPCMLD04ASTW002110
Molecular formulaC26H32N2O3
IUPAC namebenzyl N-[(S)-[(1S,2R)-2-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-1-methylcyclopropyl]-phenylmethyl]carbamate
Molecular weight420.553
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.6
SynonymsHMS2219F15
SDCCGMLS-0091088.P001
AC1MMZW2
CHEMBL1593731
MLS000563770
[ Show all ]
Inchi KeyAABYLPRACHMDSN-DDKMDXNESA-N
Inchi IDInChI=1S/C26H32N2O3/c1-18(24(29)27-16-19-13-14-19)22-15-26(22,2)23(21-11-7-4-8-12-21)28-25(30)31-17-20-9-5-3-6-10-20/h3-12,18-19,22-23H,13-17H2,1-2H3,(H,27,29)(H,28,30)/t18-,22-,23-,26+/m1/s1
PubChem CID3247284
ChEMBLCHEMBL1593731
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
43Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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