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Ligand · JMS

JMS · 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid

JMS, 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid (C14 H11 Cl2 N O2, 296.1 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
JMS
Formula
C14 H11 Cl2 N O2
Class
ligand
Structures
3
PDB entries
2

Binding sites

JMS in 3 structures; the first of them:

  • 5IKQ · The Structure of Meclofenamic Acid Bound to Human Cyclooxygenase-2 · JMS A602 · binds VAL116, ARG120, TYR348, VAL349, LEU352, SER353, TYR355, TYR385 and 7 more
  • 6IJX · Crystal Structure of AKR1C1 complexed with meclofenamic acid · JMS A402 · binds TYR24, LEU54, TYR55, TRP86, HIS117, PHE118, ILE129, ASN167 and 6 more
  • 6IJX · Crystal structure of AKR1C1 complexed with meclofenamic acid · JMS A402 · binds TYR24, LEU54, TYR55, TRP86, HIS117, PHE118, ILE129, ASN167 and 6 more

Residues it binds most

LEU 4, TYR 4, TRP 4, VAL 2, HIS 2, ILE 2, PHE 2, SER 2, ALA 2, ASN 2 (residue and the binding sites it lines).

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • AKR · Acrylic acid
  • COH · Protoporphyrin IX containing co
  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • BOG · octyl beta-D-glucopyranoside

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