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Ligand

NameMA2029
Molecular formulaC31H46ClFN4O4
IUPAC name(2S)-N-[(2S)-3-(3-tert-butyl-4-hydroxyphenyl)-1-(ethylamino)-1-oxopropan-2-yl]-2-[[(2S)-3-(4-fluorophenyl)-2-(methylamino)propanoyl]-methylamino]-3-methylbutanamide;hydrochloride
Molecular weight593.181
Hydrogen bond acceptor6
Hydrogen bond donor5
XlogPNone
SynonymsGTPL4036
MA-2029
D02IUX
(2S)-N-[(2S)-3-(3-tert-butyl-4-hydroxyphenyl)-1-(ethylamino)-1-oxopropan-2-yl]-2-[[(2S)-3-(4-fluorophenyl)-2-(methylamino)propanoyl]-methylamino]-3-methylbutanamide;hydrochloride
Inchi KeyAMSDRHOIAWZBTJ-PBQYMGKRSA-N
Inchi IDInChI=1S/C31H45FN4O4.ClH/c1-9-34-28(38)24(18-21-12-15-26(37)23(16-21)31(4,5)6)35-29(39)27(19(2)3)36(8)30(40)25(33-7)17-20-10-13-22(32)14-11-20;/h10-16,19,24-25,27,33,37H,9,17-18H2,1-8H3,(H,34,38)(H,35,39);1H/t24-,25-,27-;/m0./s1
PubChem CID73755070
ChEMBLN/A
IUPHAR4036
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
553294Motilin receptorO43193MLNRHomo sapiens (Human)412

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