2026-02-28_00000232
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ligand
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9PPQ
Locally-refined Mu-Opioid Receptor bound with novel compound 0505 (3-[({[(1P)-1-(3-chlorophenyl)-1H-pyrazol-3-yl]methyl}amino)methyl]phenol);
Electron microscopy 3.34Å
Protein #1
334 residues (86% resolved)
Raw Sequence ...
LALAIAITALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKIINVCNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPVLIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALVTIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSNIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETAPLP
Canonical Sequence ...
LALAIAITALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKIINVCNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPVLIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALVTIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSNIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETAPLP
Non polymer #2
A1CIX
InChI=1S/C17H16ClN3O/c18-14-4-2-5-16(10-14)21-8-7-15(20-21)12-19-11-13-3-1-6-17(22)9-13/h1-10,19,22H,11-12H2
InChI=1S/C17H16ClN3O/c18-14-4-2-5-16(10-14)21-8-7-15(20-21)12-19-11-13-3-1-6-17(22)9-13/h1-10,19,22H,11-12H2
SMILES: c1cc(cc(c1)O)CNCc2ccn(n2)c3cccc(c3)Cl
c1cc(cc(c1)O)CNCc2ccn(n2)c3cccc(c3)Cl
Biounit #1
monomer
Download coordinates
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Model
Reference
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