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Ligand

NameAC1NB6ST
Molecular formulaC26H35N5O6
IUPAC name2-amino-N-[1-[[2-[[1-(2-hydroxyethylamino)-1-oxo-3-phenylpropan-2-yl]-methylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
Molecular weight513.595
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP0.2
SynonymsSCHEMBL19987691
BDBM86253
Tyr-D- Ala-Gly-N-Methyl-Phe-Gly-ol
NSC_104742
CAS_100929-53-1
[ Show all ]
Inchi KeyHPZJMUBDEAMBFI-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)
PubChem CID4488326
ChEMBLN/A
IUPHARN/A
BindingDB86253
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: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
121159Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
121157Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
121158Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
121154Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
121155Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
121156Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398
121160Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398
555958Nociceptin receptorP35377Oprl1Mus musculus (Mouse)367

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