data_FAM_000300
#
_pdbx_reference_molecule_family.family_prd_id   FAM_000300
_pdbx_reference_molecule_family.name            "cyclotheonamide A"
_pdbx_reference_molecule_family.release_status  REL
_pdbx_reference_molecule_family.replaces        ?
_pdbx_reference_molecule_family.replaced_by     ?
#
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_pdbx_reference_molecule_list.family_prd_id
_pdbx_reference_molecule_list.prd_id
FAM_000300   PRD_000428  
#
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_pdbx_reference_molecule_synonyms.family_prd_id
_pdbx_reference_molecule_synonyms.prd_id
_pdbx_reference_molecule_synonyms.ordinal
_pdbx_reference_molecule_synonyms.source
_pdbx_reference_molecule_synonyms.name
FAM_000300   PRD_000428   1     PubChem      CTA
FAM_000300   PRD_000428   2     PubChem      "N-[14-Benzyl-18-(3-guanidino-propyl)-11-(4-hydroxy-benzyl)-4,8,13,16,17,20-hexaoxo-1,2,3,5,6,7,8,11,12,13,14,15,16,17,18,19,20,20a-octadecahydro-4H-3a,7,12,15,19-pentaaza-cyclopentacyclononadecen-5-yl]-formamide"
FAM_000300   PRD_000428   3     DrugBank     "N-[(3R,7R,10R,16S,21aS)-7-benzyl-3-(3-carbamimidamidopropyl)-10-[(4-hydroxyphenyl)methyl]-1,4,5,8,13,17-hexaoxo-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H,13H,14H,15H,16H,17H,19H,20H,21H,21aH-pyrrolo[2,1-j]1,4,8,11,15-pentaazacyclononadecan-16-yl]formamide"
#
loop_
_pdbx_reference_molecule_annotation.family_prd_id
_pdbx_reference_molecule_annotation.prd_id
_pdbx_reference_molecule_annotation.ordinal
_pdbx_reference_molecule_annotation.source
_pdbx_reference_molecule_annotation.type
_pdbx_reference_molecule_annotation.text
FAM_000300   PRD_000428   1     PMID:8367461         Function                  "Inhibitor of THROMBIN, EC: 3.4.21.5"
#
loop_
_pdbx_reference_molecule_features.family_prd_id
_pdbx_reference_molecule_features.prd_id
_pdbx_reference_molecule_features.ordinal
_pdbx_reference_molecule_features.source_ordinal
_pdbx_reference_molecule_features.source
_pdbx_reference_molecule_features.type
_pdbx_reference_molecule_features.value
FAM_000300   PRD_000428   1     1     PubChem                External_reference_ID     5287991
FAM_000300   PRD_000428   2     1     ChEBI                  External_reference_ID     329062
FAM_000300   PRD_000428   3     1     ChemSpider             External_reference_ID     4450240
FAM_000300   PRD_000428   4     1     ChemIDplus             External_reference_ID     129033041
FAM_000300   PRD_000428   5     1     MESH                   External_reference_ID     C081986
FAM_000300   PRD_000428   6     1     DrugBank               External_reference_ID     DB04269
FAM_000300   PRD_000428   7     1     WikiGenes              URL                       http://www.wikigenes.org/e/chem/e/448736.html
FAM_000300   PRD_000428   8     2     PubChem                External_reference_ID     23644420
#
loop_
_citation.id
_citation.year
_citation.journal_volume
_citation.page_first
_citation.page_last
_citation.pdbx_database_id_DOI
_citation.pdbx_database_id_PubMed
_citation.title
_citation.journal_abbrev
1  1994   33  1729  1731  10.1002/anie.199417291        ?  "Synthesis of Cyclotheonamide B and Its Derivatives"                                                                 "Angewandte Chemie International Edition in English"  
2  1993   58  5592  5594  10.1021/jo00073a010           ?  "Total synthesis of cyclotheonamide A"                                                                               "J. Org. Chem."  
3  1995    3  1115  1122  10.1016/0968-0896(95)00106-Q  ?  "Three More Cyclotheonamides, C, D, and E, Potent Thrombin Inhibitors from the Marine Sponge Theonella swinhoei"     "Bioorganic and Medicinal Chemistry"  
4  1995    1   441   468  ?                             ?  "Thrombin active site inhibitors"                                                                                    "Current Pharmaceutical Design"  
5  1998    5   421   440  ?                             ?  "Utilization of Natural Products for Treatment of Blood Diseases"                                                    "Current Medicinal Chemistry"  
6  1999  121  2425  2431  10.1021/ja9831195             ?  "Pseudotheonamides, Serine Protease Inhibitors from the Marine Sponge Theonella swinhoei"                            "J. Am. Chem. Soc."  
7  1990  112  7053  7054  10.1021/ja00175a045           ?  "Bioactive marine metabolites. 33. Cyclotheonamides, potent thrombin inhibitors, from a marine sponge Theonella sp"  "J. Am. Chem. Soc."  
#
loop_
_citation_author.citation_id
_citation_author.ordinal
_citation_author.name
1   1  "Deng, J."  
1   2  "Hamada, Y."  
1   3  "Shioiri, T."  
1   4  "Matsunaga, S."  
1   5  "Fusetani, N."  
2   6  "Wipf, P."  
2   7  "Kim, H."  
3   8  "Nakao, Y."  
3   9  "Matsunaga, S."  
3  10  "Fusetani, N."  
4  11  "KimBall, S.D."  
5  12  "Miles, D.H."  
5  13  "Nguyen, C.L."  
5  14  "Miles, D.H."  
6  15  "Nakao, Y."  
6  16  "Masuda, A."  
6  17  "Matsunaga, S."  
6  18  "Fusetani, N."  
7  19  "Fusetani, N."  
7  20  "Matsunaga, S."  
7  21  "Matsumoto, H."  
7  22  "Takebayashi, Y."  
#
loop_
_pdbx_family_prd_audit.family_prd_id
_pdbx_family_prd_audit.date
_pdbx_family_prd_audit.processing_site
_pdbx_family_prd_audit.action_type
FAM_000300	2012-02-08	RCSB	"Create family"	
FAM_000300	2013-10-16	RCSB	"Initial release"	
#
