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Ligand · 6I7

6I7 · 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazole

6I7, 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazole (C25 H29 Cl N2 O2, 425.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
6I7
Formula
C25 H29 Cl N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

6I7 in 2 structures; the first of them:

  • 7VFW · Human N-type voltage gated calcium channel CaV2.2-alpha2/delta1-beta1 complex, bound to… · 6I7 A2420 · binds LEU348, LEU352, VAL1282, LEU1286, TYR1289, PHE1359, SER1362, THR1363 and 9 more
  • 7VFW · Human N-type voltage gated calcium channel CAV2.2-ALPHA2/DELTA1-BETA1 complex, bound to… · 6I7 A2420 · binds LEU348, LEU1286, TYR1289, PHE1359, VAL1408, PHE1411, VAL1412, PHE1693 and 3 more

Residues it binds most

PHE 2, LEU 2, VAL 2, SER 2, TYR 2, MET 1, THR 1 (residue and the binding sites it lines).

Found with

  • PT5 · (1S)-2-{[(R)-hydroxy{[(1r,2r,3s,4r,5r,6s)-2,3,6-trihydroxy-4,5-bis(phosphonooxy) cyclohexyl]oxy}phosphoryl]oxy}-1-[(octadecanoyloxy) methyl]ethyl (8E,11E)-icosa-5,8,11,14-tetraenoate
  • R16 · Hexadecane
  • Y01 · Cholesterol hemisuccinate
  • CA · Calcium ion
  • BMA · beta-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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