data_LPT
# 
_chem_comp.id                                    LPT 
_chem_comp.name                                  "CIS-(AMMINE)(CYCLOHEXYLAMINE)PLATINUM(II) COMPLEX" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAD 
_chem_comp.formula                               "C6 H16 N2 Pt" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    2 
_chem_comp.pdbx_initial_date                     2002-06-12 
_chem_comp.pdbx_modified_date                    2008-10-14 
_chem_comp.pdbx_ambiguous_flag                   Y 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        311.283 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     LPT 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   Y 
_chem_comp.pdbx_model_coordinates_db_code        1LU5 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
# 
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.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 
LPT C8   C8   C  0 1 N N N 23.869 27.928 34.305 ? ? ? C8   LPT 1  
LPT C7   C7   C  0 1 N N N 23.062 27.207 35.390 ? ? ? C7   LPT 2  
LPT C6   C6   C  0 1 N N N 22.671 25.795 35.010 ? ? ? C6   LPT 3  
LPT C5   C5   C  0 1 N N N 21.949 25.777 33.674 ? ? ? C5   LPT 4  
LPT C4   C4   C  0 1 N N N 22.777 26.476 32.620 ? ? ? C4   LPT 5  
LPT C3   C3   C  0 1 N N N 23.023 27.913 33.023 ? ? ? C3   LPT 6  
LPT N2   N2   N  0 1 N N N 23.734 28.634 31.965 ? ? ? N2   LPT 7  
LPT N1   N1   N  0 1 N N N 22.498 28.799 29.138 ? ? ? N1   LPT 8  
LPT PT   PT   PT 2 0 N N N 23.944 27.792 30.113 ? ? ? PT   LPT 9  
LPT H81  1H8  H  0 1 N N N 24.888 27.498 34.161 ? ? ? H81  LPT 10 
LPT H82  2H8  H  0 1 N N N 24.187 28.953 34.606 ? ? ? H82  LPT 11 
LPT H71  1H7  H  0 1 N N N 22.164 27.803 35.676 ? ? ? H71  LPT 12 
LPT H72  2H7  H  0 1 N N N 23.608 27.218 36.362 ? ? ? H72  LPT 13 
LPT H61  1H6  H  0 1 N N N 22.070 25.304 35.811 ? ? ? H61  LPT 14 
LPT H62  2H6  H  0 1 N N N 23.550 25.108 35.014 ? ? ? H62  LPT 15 
LPT H51  1H5  H  0 1 N N N 20.923 26.208 33.750 ? ? ? H51  LPT 16 
LPT H52  2H5  H  0 1 N N N 21.671 24.742 33.366 ? ? ? H52  LPT 17 
LPT H41  1H4  H  0 1 N N N 22.316 26.399 31.608 ? ? ? H41  LPT 18 
LPT H42  2H4  H  0 1 N N N 23.728 25.933 32.408 ? ? ? H42  LPT 19 
LPT H3   H3   H  0 1 N N N 22.043 28.416 33.196 ? ? ? H3   LPT 20 
LPT HN21 1HN2 H  0 0 N N N 24.660 28.884 32.312 ? ? ? HN21 LPT 21 
LPT HN22 2HN2 H  0 0 N N N 23.121 29.403 31.782 ? ? ? HN22 LPT 22 
LPT HN11 1HN1 H  0 0 N N N 22.552 29.817 29.179 ? ? ? HN11 LPT 23 
LPT HN12 2HN1 H  0 0 N N N 22.603 28.379 28.214 ? ? ? HN12 LPT 24 
LPT HN13 3HN1 H  0 0 N N N 21.585 28.709 29.536 ? ? ? HN13 LPT 25 
# 
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 
LPT C8 C7   SING N N 1  
LPT C8 C3   SING N N 2  
LPT C8 H81  SING N N 3  
LPT C8 H82  SING N N 4  
LPT C7 C6   SING N N 5  
LPT C7 H71  SING N N 6  
LPT C7 H72  SING N N 7  
LPT C6 C5   SING N N 8  
LPT C6 H61  SING N N 9  
LPT C6 H62  SING N N 10 
LPT C5 C4   SING N N 11 
LPT C5 H51  SING N N 12 
LPT C5 H52  SING N N 13 
LPT C4 C3   SING N N 14 
LPT C4 H41  SING N N 15 
LPT C4 H42  SING N N 16 
LPT C3 N2   SING N N 17 
LPT C3 H3   SING N N 18 
LPT N2 PT   SING N N 19 
LPT N2 HN21 SING N N 20 
LPT N2 HN22 SING N N 21 
LPT N1 PT   SING N N 22 
LPT N1 HN11 SING N N 23 
LPT N1 HN12 SING N N 24 
LPT N1 HN13 SING N N 25 
# 
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 
LPT InChI            InChI                1.02b InChI=1/C6H13N.H3N.Pt/c7-6-4-2-1-3-5-6;;/h6H,1-5,7H2;1H3;/q;;+2/rC6H16N2Pt/c7-9-8-6-4-2-1-3-5-6/h6H,1-5,8H2,7H3/q+2 
LPT InChIKey         InChI                1.02b QJZANKJSFCKQEM-FAMBLFRQAF                                                                                           
LPT SMILES_CANONICAL CACTVS               3.341 N|[Pt++]|NC1CCCCC1                                                                                                  
LPT SMILES           CACTVS               3.341 N|[Pt++]|NC1CCCCC1                                                                                                  
LPT SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C1CCC(CC1)[NH2][Pt+2][NH3]                                                                                          
LPT SMILES           "OpenEye OEToolkits" 1.5.0 C1CCC(CC1)[NH2][Pt+2][NH3]                                                                                          
# 
