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Ligand

NameCHEMBL2370431
Molecular formulaC28H29N3O5
IUPAC name(2S)-2-[[(3S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-phenylpropanoic acid
Molecular weight487.556
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP0.7
Synonyms2-{2-[2-amino-3-(4-hydroxyphenyl)-(2S)-propanoyl]-1,2,3,4-tetrahydro-3-isoquinolinylmethylamino}-3-phenyl-(2S)-propanoic acid
2-{2-[2-amino-3-(4-hydroxyphenyl)-(2S)-propanoyl]-1,2,3,4-tetrahydro-3-isoquinolinylcarboxamido}-3-phenyl-(2S)-propanoic acid
BDBM50041956
Inchi KeyAZBAOXFFFLMUBH-SDHOMARFSA-N
Inchi IDInChI=1S/C28H29N3O5/c29-23(14-19-10-12-22(32)13-11-19)27(34)31-17-21-9-5-4-8-20(21)16-25(31)26(33)30-24(28(35)36)15-18-6-2-1-3-7-18/h1-13,23-25,32H,14-17,29H2,(H,30,33)(H,35,36)/t23-,24-,25-/m0/s1
PubChem CID12093958
ChEMBLCHEMBL2370431
IUPHARN/A
BindingDB50041956
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
17964Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
17966Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
17965Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398
17967Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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