GL1X · GenesisL1 explorer

Ligand · BAQ

BAQ · pyrrolidin-2-one

BAQ, pyrrolidin-2-one (C4 H7 N O, 85.1 g/mol), in the MolNFT structures on GenesisL1: bound in 9 records (6 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
BAQ
Formula
C4 H7 N O
Class
ligand
Structures
9
PDB entries
6

Binding sites

BAQ in 9 structures; the first of them:

  • 5OH2 · Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Pyrrolidin-2-one… · BAQ A202 · binds GLU76, PHE77, SER78, TRP79, TRP85, TRP99, TYR101
  • 5S47 · PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in… · BAQ A401 · binds ASP22, ILE23, GLY48, VAL49, ALA52, PHE156
  • 5S77 · XChem group deposition -- Crystal Structure of human ACVR1 in complex with XS035133b · BAQ A510 · binds VAL255, MET256, LEU257, ARG258, HIS318, GLY328, LYS329
  • 7H81 · Group deposition for crystallographic fragment screening of Chikungunya virus nsP3… · BAQ A209 · binds ALA22, ALA23, ASN24, GLY30, ASP31, CYS34, VAL113, TYR114
  • 7Q2K · Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum… · BAQ A801 · binds ASP623, GLY624, VAL625, THR654, LYS663, TRP692, HIS709
  • 9FAL · Gcase in complex with small molecule inhibitor 1 · BAQ A607 · binds LEU106, LEU475, ALA477, ASN481, LEU483, ASP484, ALA485
  • 5OH2 · Cereblon isoform 4 from magnetospirillum gryphiswaldense in complex with pyrrolidin-2-one… · BAQ A202 · binds PHE77, SER78, TRP79, TRP85, TRP99, TYR101
  • 5S47 · Pandda analysis group deposition -- crystal structure of SARS-cov-2 NSP3 macrodomain in… · BAQ A401 · binds ASP22, GLY48, VAL49, ALA52, PHE156
  • 5S77 · Xchem group deposition -- crystal structure of human ACVR1 in complex with XS035133B · BAQ A510 · binds MET256, LEU257, ARG258, HIS318, GLY328, LYS329

Residues it binds most

TRP 7, ALA 8, ASP 11, GLY 10, TYR 10, VAL 9, LEU 6, PHE 8, SER 6, ASN 5 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol
  • LU8 · 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine
  • ZN · Zinc ion
  • TLA · L(+)-tartaric acid
  • A1IBQ · ~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)benzenesulfonamide
  • K · Potassium ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.