data_ZDL
# 
_chem_comp.id                                    ZDL 
_chem_comp.name                                  1,3-dimethylimidazolidine 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C5 H12 N2" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2023-06-23 
_chem_comp.pdbx_modified_date                    2024-09-27 
_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                        100.162 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     ZDL 
_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        7G98 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
_chem_comp.pdbx_pcm                              Y 
# 
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 
ZDL C01 C1  C 0 1 N N N N N N 27.131 -50.088 33.314 2.405  0.559  -0.035 C01 ZDL 1  
ZDL N02 N1  N 0 1 N N N N N N 27.182 -51.480 32.895 1.073  0.143  0.424  N02 ZDL 2  
ZDL C03 C2  C 0 1 N N N N N N 28.144 -52.286 33.262 0.761  -1.240 -0.027 C03 ZDL 3  
ZDL C04 C3  C 0 1 N N N N N N 28.599 -52.855 32.112 -0.788 -1.250 -0.003 C04 ZDL 4  
ZDL N05 N2  N 0 1 N N N N N N 27.596 -52.836 31.249 -1.150 0.116  -0.449 N05 ZDL 5  
ZDL C06 C4  C 0 1 N N N N N N 27.424 -53.770 30.143 -2.338 0.605  0.263  C06 ZDL 6  
ZDL C07 C5  C 0 1 N N N N N N 26.681 -51.964 31.734 0.017  0.980  -0.185 C07 ZDL 7  
ZDL H1  H1  H 0 1 N N N N N N 27.613 -49.983 34.297 2.439  0.531  -1.124 H1  ZDL 8  
ZDL H2  H2  H 0 1 N N N N N N 27.659 -49.464 32.578 2.607  1.573  0.308  H2  ZDL 9  
ZDL H3  H3  H 0 1 N N N N N N 26.082 -49.764 33.384 3.157  -0.119 0.370  H3  ZDL 10 
ZDL H5  H5  H 0 1 N N N N N N 27.760 -53.057 33.947 1.135  -1.413 -1.036 H5  ZDL 11 
ZDL H6  H6  H 0 1 N N N N N N 28.949 -51.724 33.758 1.168  -1.976 0.667  H6  ZDL 12 
ZDL H7  H7  H 0 1 N N N N N N 28.914 -53.892 32.302 -1.178 -1.996 -0.695 H7  ZDL 13 
ZDL H8  H8  H 0 1 N N N N N N 29.449 -52.280 31.716 -1.154 -1.436 1.007  H8  ZDL 14 
ZDL H10 H10 H 0 1 N N N N N N 28.353 -54.339 29.995 -2.569 1.617  -0.068 H10 ZDL 15 
ZDL H11 H11 H 0 1 N N N N N N 26.602 -54.464 30.373 -3.184 -0.049 0.049  H11 ZDL 16 
ZDL H12 H12 H 0 1 N N N N N N 27.186 -53.212 29.225 -2.144 0.608  1.335  H12 ZDL 17 
ZDL H13 H13 H 0 1 N N N N N N 26.522 -51.144 31.018 -0.264 1.779  0.502  H13 ZDL 18 
ZDL H14 H14 H 0 1 N N N N N N 25.727 -52.479 31.918 0.378  1.407  -1.121 H14 ZDL 19 
# 
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 
ZDL C06 N05 SING N N 1  
ZDL N05 C07 SING N N 2  
ZDL N05 C04 SING N N 3  
ZDL C07 N02 SING N N 4  
ZDL C04 C03 SING N N 5  
ZDL N02 C03 SING N N 6  
ZDL N02 C01 SING N N 7  
ZDL C01 H1  SING N N 8  
ZDL C01 H2  SING N N 9  
ZDL C01 H3  SING N N 10 
ZDL C03 H5  SING N N 11 
ZDL C03 H6  SING N N 12 
ZDL C04 H7  SING N N 13 
ZDL C04 H8  SING N N 14 
ZDL C06 H10 SING N N 15 
ZDL C06 H11 SING N N 16 
ZDL C06 H12 SING N N 17 
ZDL C07 H13 SING N N 18 
ZDL C07 H14 SING N N 19 
# 
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 
ZDL SMILES           ACDLabs              12.01 "CN1CCN(C)C1"                                    
ZDL InChI            InChI                1.06  "InChI=1S/C5H12N2/c1-6-3-4-7(2)5-6/h3-5H2,1-2H3" 
ZDL InChIKey         InChI                1.06  SMWUDAKKCDQTPV-UHFFFAOYSA-N                      
ZDL SMILES_CANONICAL CACTVS               3.385 "CN1CCN(C)C1"                                    
ZDL SMILES           CACTVS               3.385 "CN1CCN(C)C1"                                    
ZDL SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CN1CCN(C1)C"                                    
ZDL SMILES           "OpenEye OEToolkits" 2.0.7 "CN1CCN(C1)C"                                    
# 
loop_
_pdbx_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
_pdbx_chem_comp_identifier.program 
_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
ZDL "SYSTEMATIC NAME" ACDLabs              12.01 1,3-dimethylimidazolidine 
ZDL "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.7 1,3-dimethylimidazolidine 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
ZDL "Create component" 2023-06-23 RCSB 
ZDL "Initial release"  2023-07-12 RCSB 
ZDL "Modify PCM"       2024-09-27 PDBE 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            ZDL 
_pdbx_chem_comp_pcm.modified_residue_id                CYS 
_pdbx_chem_comp_pcm.type                               None 
_pdbx_chem_comp_pcm.category                           "Covalent chemical modification" 
_pdbx_chem_comp_pcm.position                           "Amino-acid side chain" 
_pdbx_chem_comp_pcm.polypeptide_position               "Any position" 
_pdbx_chem_comp_pcm.comp_id_linking_atom               C07 
_pdbx_chem_comp_pcm.modified_residue_id_linking_atom   SG 
_pdbx_chem_comp_pcm.uniprot_specific_ptm_accession     ? 
_pdbx_chem_comp_pcm.uniprot_generic_ptm_accession      ? 
# 
