data_PRD_002071
# 
_pdbx_reference_molecule.prd_id                       PRD_002071 
_pdbx_reference_molecule.name                         '"1-[(2S,4S)-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-2-pyrrolidin-1-ylcarbonyl-pyrrolidin-1-yl]-4-phenyl-butan-1-one"' 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Enzyme inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C27 H30 F N5 O2" 
_pdbx_reference_molecule.formula_weight               475.558 
_pdbx_reference_molecule.chem_comp_id                 TDV 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             "Derivative compound of SUAM-1221" 
_pdbx_reference_molecule.description                  "P2-substituted N-acyl-prolylpyrrolidine inhibitor" 
_pdbx_reference_molecule.representative_PDB_id_code   4BCD 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002071 
_pdbx_reference_entity_subcomponents.seq            "CLT RT0 VES" 
_pdbx_reference_entity_subcomponents.chem_comp_id   TDV 
# 
_pdbx_reference_entity_list.prd_id          PRD_002071 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002071 1 1 CB2 CLT 1 N9 RT0 2 SING 1 ? ? ? 
PRD_002071 1 2 C6  RT0 2 N5 VES 3 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002071 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002071 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002071 1 1 CLT .   N Y 
PRD_002071 1 2 RT0 PRO N Y 
PRD_002071 1 3 VES .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002071 2013-04-29 PDBE "Create molecule" 
PRD_002071 2013-05-29 RCSB "Initial release" 
# 
