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Ligand

NameCHEMBL113995
Molecular formulaC25H31N5O7
IUPAC name2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]acetic acid
Molecular weight513.551
Hydrogen bond acceptor8
Hydrogen bond donor7
XlogP-2.8
SynonymsBDBM50037492
[(S)-2-(2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-acetylamino)-3-phenyl-propionylamino]-acetic acid
Inchi KeyACFMXHBRDFRELI-YSSFQJQWSA-N
Inchi IDInChI=1S/C25H31N5O7/c1-15(29-24(36)19(26)11-17-7-9-18(31)10-8-17)23(35)27-13-21(32)30-20(25(37)28-14-22(33)34)12-16-5-3-2-4-6-16/h2-10,15,19-20,31H,11-14,26H2,1H3,(H,27,35)(H,28,37)(H,29,36)(H,30,32)(H,33,34)/t15-,19-,20-/m0/s1
PubChem CID44342728
ChEMBLCHEMBL113995
IUPHARN/A
BindingDB50037492
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1510Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398

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