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Ligand · 8M6

8M6 · 2-[[11-ethanoyl-4-(furan-2-ylmethyl)-3-oxidanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9), 2(7),5-trien-5-yl]sulfanyl]-~{N}-(2-methylpyridin-3-yl)ethanamide

8M6, 2-[[11-ethanoyl-4-(furan-2-ylmethyl)-3-oxidanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9), 2(7),5-trien-5-yl]sulfanyl]-~{N}-(2-methylpyridin-3-yl)ethanamide (C24 H23 N5 O4 S2, 509.6 g/mol), in the MolNFT structures…

Component
8M6
Formula
C24 H23 N5 O4 S2
Class
ligand
Structures
4
PDB entries
2

Binding sites

8M6 in 4 structures; the first of them:

  • 7Q3F · Bromodomain-containing 4 BD1 in complex with the inhibitor CRCM5484 · 8M6 A501 · binds TRP81, PRO82, PHE83, VAL87, LEU92, ASN93, LEU94, TYR97 and 4 more
  • 7Q5O · Bromodomain-containing 2 BD2 in complex with the inhibitor CRCM5484 · 8M6 A501 · binds TRP370, PRO371, PHE372, VAL376, ALA380, LEU381, LEU383, CYS425 and 4 more
  • 7Q3F · Bromodomain-containing 4 BD1 in complex with the inhibitor CRCM5484 · 8M6 A501 · binds TRP81, PRO82, PHE83, VAL87, LEU92, ASN93, LEU94, TYR97 and 4 more
  • 7Q5O · Bromodomain-containing 2 BD2 in complex with the inhibitor CRCM5484 · 8M6 A501 · binds TRP370, PRO371, PHE372, VAL376, ALA380, LEU381, LEU383, CYS425 and 4 more

Residues it binds most

LEU 4, ASN 4, VAL 4, CYS 4, PHE 4, PRO 4, TRP 4, TYR 2, ALA 2, ASP 2 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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