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Ligand · A80

A80 · 4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl]benzoic acid

A80, 4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl]benzoic acid (C22 H25 N O3, 351.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5…

Component
A80
Formula
C22 H25 N O3
Class
ligand
Structures
4
PDB entries
2

Binding sites

A80 in 4 structures; the first of them:

  • 2CBR · Cellular retinoic acid binding protein I in complex with a retinobenzoic acid (AM80) · A80 A201 · binds PHE15, VAL24, LEU28, VAL31, ALA32, ALA35, ALA36, PRO39 and 12 more
  • 7ER7 · Crystal structure of hyman Biliverdin IX-beta reductase B with Tamibarotene (A80) · A80 A402 · binds ARG78, ASN79, LEU81, SER111, ALA112, PHE113, TRP116, ARG124 and 7 more
  • 2CBR · Cellular retinoic acid binding protein I in complex with a retinobenzoic acid (AM80) · A80 A201 · binds PHE15, VAL24, LEU28, VAL31, ALA32, ALA35, ALA36, PRO39 and 12 more
  • 7ER7 · Crystal structure of hyman biliverdin IX-beta reductase B with tamibarotene (A80) · A80 A402 · binds ARG78, ASN79, LEU81, SER111, ALA112, PHE113, TRP116, ARG124 and 7 more

Residues it binds most

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

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • SO4 · Sulfate ion

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