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Ligand · O1M

O1M · 4-(4-fluorophenyl)piperazine-1-carboxamide

O1M, 4-(4-fluorophenyl)piperazine-1-carboxamide (C11 H14 F N3 O, 223.2 g/mol), in the MolNFT structures on GenesisL1: bound in 11 records (9 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
O1M
Formula
C11 H14 F N3 O
Class
ligand
Structures
11
PDB entries
9

Binding sites

O1M in 11 structures; the first of them:

  • 5RK6 · PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194394 · O1M A1501 · binds PRO1340, PHE1341, VAL1345, ASP1346, TYR1350, TYR1353, SER1392, TYR1395 and 5 more
  • 5S5T · Tubulin-Z198194394-complex · O1M B505 · binds VAL177, SER178, ASP179, TYR210, PRO222, THR223, TYR224, LEU227 and 3 more
  • 5SNH · PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa… · O1M A501 · binds PHE203, ALA206, ALA208, THR271, PHE400, PRO132, PHE133, PRO136
  • 7HKS · Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA… · O1M A1011 · binds VAL507, GLU510, LEU512, LEU515, TYR607, SER661, CYS709, SER710 and 2 more
  • 7HMO · PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z198194394 · O1M B202 · binds ARG38, THR77, GLN78, ALA184, ALA185, PRO186
  • 8PLX · Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 34. · O1M A602 · binds TYR138, ASN225, ALA226, LYS227, THR239, ASP240, LYS241, GLN243
  • 5QSJ · Pandda analysis group deposition -- crystal structure of human brachyury G177D variant in… · O1M A301 · binds GLU48, LEU51, ARG54, TYR210
  • 5RK6 · Pandda analysis group deposition -- crystal structure of phip in complex with Z198194394 · O1M A1501 · binds PRO1340, PHE1341, VAL1345, ASP1346, TYR1350, TYR1353, SER1392, TYR1395 and 5 more
  • 5RY6 · INPP5D pandda analysis group deposition -- crystal structure of the phosphatase and C2… · O1M A901 · binds LEU620, ARG623, ARG624
  • 5RZD · EPB41L3 pandda analysis group deposition -- crystal structure of the ferm domain of human… · O1M A401 · binds TRP334, VAL337, LEU338, ILE340, HIS384
  • 5S5T · Tubulin-Z198194394-complex · O1M B505 · binds VAL177, SER178, ASP179, PRO222, THR223, TYR224, LEU227, PHE351 and 2 more

Residues it binds most

TYR 8, PHE 6, PRO 7, THR 10, SER 6, VAL 7, ALA 5, ASP 7, LEU 6, LYS 5 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • MES · 2-(N-morpholino)-ethanesulfonic acid
  • ACP · Phosphomethylphosphonic acid adenylate ester
  • GDP · Guanosine-5'-diphosphate
  • GTP · Guanosine-5'-triphosphate
  • CA · Calcium ion
  • MG · Magnesium ion
  • PO4 · Phosphate ion
  • EDO · 1,2-ethanediol
  • FAD · Flavin-adenine dinucleotide
  • ZN · Zinc ion
  • SO4 · Sulfate ion

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