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Ligand

NameCHEMBL44172
Molecular formulaC25H31N5O7
IUPAC name(3S)-4-amino-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoic acid
Molecular weight513.551
Hydrogen bond acceptor8
Hydrogen bond donor7
XlogP-3.4
SynonymsBDBM50009191
3-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-succinamic acid
Inchi KeyAAVSVNSRXLRHJZ-DSYPUSFNSA-N
Inchi IDInChI=1S/C25H31N5O7/c1-14(28-24(36)18(26)11-16-7-9-17(31)10-8-16)23(35)30-20(12-15-5-3-2-4-6-15)25(37)29-19(22(27)34)13-21(32)33/h2-10,14,18-20,31H,11-13,26H2,1H3,(H2,27,34)(H,28,36)(H,29,37)(H,30,35)(H,32,33)/t14-,18-,19-,20-/m0/s1
PubChem CID44290469
ChEMBLCHEMBL44172
IUPHARN/A
BindingDB50009191
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
575Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
576Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
573Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
574Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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