data_CPT
# 
_chem_comp.id                                    CPT 
_chem_comp.name                                  CIS-PLATINUM-(NH3)2 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAD 
_chem_comp.formula                               "H6 N2 Pt" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         CIS-DIAMMINE-PLATINUM(II) 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     1999-07-08 
_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                        229.139 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     CPT 
_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        1A2E 
_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 
CPT PT1 PT1 PT 0 0 N N N 9.157  7.362 35.129 ? ? ? PT1 CPT 1 
CPT N1  N1  N  0 1 N N N 9.603  6.346 33.453 ? ? ? N1  CPT 2 
CPT N2  N2  N  0 1 N N N 7.233  7.331 34.594 ? ? ? N2  CPT 3 
CPT H11 1H1 H  0 1 N N N 9.314  6.701 32.541 ? ? ? H11 CPT 4 
CPT H12 2H1 H  0 1 N N N 10.586 6.362 33.726 ? ? ? H12 CPT 5 
CPT H13 3H1 H  0 1 N N N 9.147  5.481 33.246 ? ? ? H13 CPT 6 
CPT H21 1H2 H  0 1 N N N 7.007  7.847 35.445 ? ? ? H21 CPT 7 
CPT H22 2H2 H  0 1 N N N 6.769  6.447 34.387 ? ? ? H22 CPT 8 
CPT H23 3H2 H  0 1 N N N 6.948  7.675 33.700 ? ? ? H23 CPT 9 
# 
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 
CPT PT1 N1  SING N N 1 
CPT PT1 N2  SING N N 2 
CPT N1  H11 SING N N 3 
CPT N1  H12 SING N N 4 
CPT N1  H13 SING N N 5 
CPT N2  H21 SING N N 6 
CPT N2  H22 SING N N 7 
CPT N2  H23 SING N N 8 
# 
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 
CPT InChI            InChI                1.02b InChI=1/2H3N.Pt/h2*1H3;/rH6N2Pt/c1-3-2/h1-2H3 
CPT InChIKey         InChI                1.02b UCODGWAXYVPZAE-JRTXFCCKAB                     
CPT SMILES_CANONICAL CACTVS               3.341 N|[Pt]|N                                      
CPT SMILES           CACTVS               3.341 N|[Pt]|N                                      
CPT SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 [NH3][Pt][NH3]                                
CPT SMILES           "OpenEye OEToolkits" 1.5.0 [NH3][Pt][NH3]                                
# 
