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Ligand · N1B

N1B · (S)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1H-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate

N1B, (S)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1H-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate (C16 H14 B9 N O4, 381.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
N1B
Formula
C16 H14 B9 N O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

N1B in 2 structures; the first of them:

  • 4Z0L · The murine cyclooxygenase-2 complexed with a nido-dicarbaborate-containing indomethacin… · N1B A707 · binds HIS90, MET113, VAL116, LEU117, ARG120, ILE345, VAL349, LEU352 and 12 more
  • 4Z0L · The murine cyclooxygenase-2 complexed with a nido-dicarbaborate- containing indomethacin… · N1B A707 · binds HIS90, MET113, VAL116, LEU117, ARG120, ILE345, VAL349, LEU352 and 12 more

Residues it binds most

LEU 8, VAL 8, ARG 8, SER 8, TYR 8, MET 8, ALA 8, GLY 8, HIS 8, ILE 8 (residue and the binding sites it lines).

Found with

  • 4LA · (R)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1H-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate
  • HEM · Protoporphyrin IX containing Fe
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • BOG · octyl beta-D-glucopyranoside

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