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Ligand

Name88373-73-3
Molecular formulaC30H39N5O7S2
IUPAC name13-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid
Molecular weight645.79
Hydrogen bond acceptor10
Hydrogen bond donor7
XlogP-0.6
Synonyms[D-Pen2,5]-ENKEPHALIN
Tyr-D- Pen-Gly-Phe-D- Pen
BDBM86546
NSC_104787
CAS_88373-73-3
[ Show all ]
Inchi KeyMCMMCRYPQBNCPH-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)
PubChem CID14679811
ChEMBLN/A
IUPHARN/A
BindingDB86546
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
202150Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
202151Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
202149Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
556284Nociceptin receptorP35377Oprl1Mus musculus (Mouse)367

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