PDBx/mmCIF
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Data Category pdbx_chem_comp_model_descriptor

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General

Category name
pdbx_chem_comp_model_descriptor
Required in PDB entries
no
Category group membership
chem_comp_model_group  pdbx_group
Used in current PDB entries
No

Category Relationship Diagrams

70
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Category Description 

               Data items in the CHEM_COMP_MODEL_DESCRIPTOR category provide
               string descriptors for component model structures.

Category Example

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loop_
_pdbx_chem_comp_model_descriptor.model_id 
_pdbx_chem_comp_model_descriptor.type 
_pdbx_chem_comp_model_descriptor.descriptor 
  M_ZZV_00001 SMILES            'CN(c1c2cccnc2c(c3c1CN(C3=O)Cc4ccc(cc4)F)O)S(=O)(=O)C'
  M_ZZV_00001 SMILES_CANNONICAL 'CN(c1c2cccnc2c(c3c1CN(C3=O)Cc4ccc(cc4)F)O)S(=O)(=O)C'

Key Data Items

Category Data Items

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