data_OGL
# 
_chem_comp.id                                    OGL 
_chem_comp.name                                  4-fluoranyl-2-oxidanyl-benzamide 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C7 H6 F N O2" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         4-fluoro-2-hydroxybenzamide 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2022-09-07 
_chem_comp.pdbx_modified_date                    2026-06-12 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        155.126 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     OGL 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        Corina 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        8AZQ 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBE 
_chem_comp.pdbx_pcm                              ? 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_align 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_backbone_atom_flag 
_chem_comp_atom.pdbx_n_terminal_atom_flag 
_chem_comp_atom.pdbx_c_terminal_atom_flag 
_chem_comp_atom.model_Cartn_x 
_chem_comp_atom.model_Cartn_y 
_chem_comp_atom.model_Cartn_z 
_chem_comp_atom.pdbx_model_Cartn_x_ideal 
_chem_comp_atom.pdbx_model_Cartn_y_ideal 
_chem_comp_atom.pdbx_model_Cartn_z_ideal 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal 
OGL C10 C1 C 0 1 Y N N N N N -21.245 -19.021 8.806 -0.034 0.982  -0.018 C10 OGL 1  
OGL C02 C2 C 0 1 N N N N N N -22.549 -17.082 7.807 2.100  -0.307 -0.006 C02 OGL 2  
OGL C04 C3 C 0 1 Y N N N N N -21.245 -17.819 8.101 0.627  -0.255 -0.005 C04 OGL 3  
OGL C05 C4 C 0 1 Y N N N N N -20.058 -17.270 7.638 -0.118 -1.438 0.010  C05 OGL 4  
OGL C06 C5 C 0 1 Y N N N N N -18.856 -17.911 7.883 -1.494 -1.383 0.011  C06 OGL 5  
OGL C07 C6 C 0 1 Y N N N N N -18.853 -19.100 8.593 -2.146 -0.157 -0.002 C07 OGL 6  
OGL C09 C7 C 0 1 Y N N N N N -20.040 -19.654 9.053 -1.420 1.020  -0.016 C09 OGL 7  
OGL F08 F1 F 0 1 N N N N N N -17.673 -19.735 8.842 -3.496 -0.114 -0.000 F08 OGL 8  
OGL N01 N1 N 0 1 N N N N N N -23.830 -17.759 7.965 2.732  -1.498 0.007  N01 OGL 9  
OGL O03 O1 O 0 1 N N N N N N -22.494 -15.946 7.452 2.745  0.724  -0.018 O03 OGL 10 
OGL O11 O2 O 0 1 N N N N N N -22.441 -19.594 9.277 0.679  2.135  -0.026 O11 OGL 11 
OGL H1  H1 H 0 1 N N N N N N -20.072 -16.342 7.086 0.385  -2.393 0.019  H1  OGL 12 
OGL H2  H2 H 0 1 N N N N N N -17.929 -17.488 7.524 -2.068 -2.297 0.022  H2  OGL 13 
OGL H3  H3 H 0 1 N N N N N N -20.023 -20.582 9.605 -1.933 1.971  -0.022 H3  OGL 14 
OGL H4  H4 H 0 1 N N N N N N -24.681 -17.270 7.775 2.217  -2.320 0.016  H4  OGL 15 
OGL H5  H5 H 0 1 N N N N N N -23.858 -18.713 8.264 3.701  -1.532 0.006  H5  OGL 16 
OGL H6  H6 H 0 1 N N N N N N -22.247 -20.406 9.731 0.887  2.476  0.855  H6  OGL 17 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
OGL O03 C02 DOUB N N 1  
OGL C05 C06 DOUB Y N 2  
OGL C05 C04 SING Y N 3  
OGL C02 N01 SING N N 4  
OGL C02 C04 SING N N 5  
OGL C06 C07 SING Y N 6  
OGL C04 C10 DOUB Y N 7  
OGL C07 F08 SING N N 8  
OGL C07 C09 DOUB Y N 9  
OGL C10 C09 SING Y N 10 
OGL C10 O11 SING N N 11 
OGL C05 H1  SING N N 12 
OGL C06 H2  SING N N 13 
OGL C09 H3  SING N N 14 
OGL N01 H4  SING N N 15 
OGL N01 H5  SING N N 16 
OGL O11 H6  SING N N 17 
# 
loop_
_pdbx_chem_comp_descriptor.comp_id 
_pdbx_chem_comp_descriptor.type 
_pdbx_chem_comp_descriptor.program 
_pdbx_chem_comp_descriptor.program_version 
_pdbx_chem_comp_descriptor.descriptor 
OGL InChI            InChI                1.06    "InChI=1S/C7H6FNO2/c8-4-1-2-5(7(9)11)6(10)3-4/h1-3,10H,(H2,9,11)" 
OGL InChIKey         InChI                1.06    DTROPWKBAVYTIC-UHFFFAOYSA-N                                       
OGL SMILES_CANONICAL CACTVS               3.385   "NC(=O)c1ccc(F)cc1O"                                              
OGL SMILES           CACTVS               3.385   "NC(=O)c1ccc(F)cc1O"                                              
OGL SMILES_CANONICAL "OpenEye OEToolkits" 3.1.0.0 "c1cc(c(cc1F)O)C(=O)N"                                            
OGL SMILES           "OpenEye OEToolkits" 3.1.0.0 "c1cc(c(cc1F)O)C(=O)N"                                            
# 
_pdbx_chem_comp_identifier.comp_id           OGL 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           "OpenEye OEToolkits" 
_pdbx_chem_comp_identifier.program_version   3.1.0.0 
_pdbx_chem_comp_identifier.identifier        4-fluoranyl-2-oxidanyl-benzamide 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
OGL "Create component" 2022-09-07 PDBE 
OGL "Initial release"  2026-06-17 RCSB 
# 
_pdbx_chem_comp_synonyms.ordinal      1 
_pdbx_chem_comp_synonyms.comp_id      OGL 
_pdbx_chem_comp_synonyms.name         4-fluoro-2-hydroxybenzamide 
_pdbx_chem_comp_synonyms.provenance   AUTHOR 
_pdbx_chem_comp_synonyms.type         ? 
# 
