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Ligand · 9HF

9HF · 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl) benzotriazole-5-carboxylic acid

9HF, 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl) benzotriazole-5-carboxylic acid (C22 H25 N3 O2, 363.5 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within…

Component
9HF
Formula
C22 H25 N3 O2
Class
ligand
Structures
3
PDB entries
2

Binding sites

9HF in 3 structures; the first of them:

  • 6L6K · Crystal structure of dimeric RXRalpha-LBD complexed with partial agonist CBt-PMN and SRC1 · 9HF A501 · binds ILE268, ALA271, ALA272, GLN275, ASN306, LEU309, PHE313, ARG316 and 9 more
  • 5ZQU · Crystal structure of tetrameric rxralpha-lbd complexed with partial agonist cbt-pmn · 9HF A501 · binds ALA271, ALA272, GLN275, LEU276, TRP305, ASN306, LEU309, PHE313 and 5 more
  • 6L6K · Crystal structure of dimeric rxralpha-lbd complexed with partial agonist cbt-pmn and SRC1 · 9HF A501 · binds ILE268, ALA271, ALA272, GLN275, ASN306, LEU309, PHE313, ARG316 and 9 more

Residues it binds most

LEU 8, ALA 8, PHE 8, ILE 4, ARG 6, GLN 6, TRP 6, ASN 4, CYS 3, HIS 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • BR · Bromide ion

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