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Ligand

NameCHEMBL134023
Molecular formulaC32H44N8O8
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]butanediamide
Molecular weight668.752
Hydrogen bond acceptor9
Hydrogen bond donor9
XlogP-0.8
SynonymsBDBM50281534
(S)-2-{(S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-acetylamino}-acetylamino)-3-phenyl-propionylamino]-4-methyl-pentanoylamino}-succinamide
Inchi KeyAAYJOSVJNYTZTC-QORCZRPOSA-N
Inchi IDInChI=1S/C32H44N8O8/c1-18(2)12-24(31(47)39-23(29(35)45)15-26(34)42)40-32(48)25(14-19-6-4-3-5-7-19)38-28(44)17-36-27(43)16-37-30(46)22(33)13-20-8-10-21(41)11-9-20/h3-11,18,22-25,41H,12-17,33H2,1-2H3,(H2,34,42)(H2,35,45)(H,36,43)(H,37,46)(H,38,44)(H,39,47)(H,40,48)/t22-,23-,24-,25-/m0/s1
PubChem CID44353692
ChEMBLCHEMBL134023
IUPHARN/A
BindingDB50281534
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
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GLASS IDNameUniProtGeneSpeciesLength
627Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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