data_FAM_000325
#
_pdbx_reference_molecule_family.family_prd_id   FAM_000325
_pdbx_reference_molecule_family.name            Argatroban
_pdbx_reference_molecule_family.release_status  REL
_pdbx_reference_molecule_family.replaces        ?
_pdbx_reference_molecule_family.replaced_by     ?
#
loop_
_pdbx_reference_molecule_list.family_prd_id
_pdbx_reference_molecule_list.prd_id
FAM_000325   PRD_000452  
FAM_000325   PRD_000889  
#
loop_
_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_000325   PRD_000452   1     PDB          MQPA
FAM_000325   PRD_000452   2     PDB          amino{[(4S)-5-[(2R,4R)-2-carboxy-4-methylpiperidin-1-yl]-4-({[(3R)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}amino)-5-oxopentyl]amino}methaniminium
FAM_000325   PRD_000452   3     Scifinder    Acova
FAM_000325   PRD_000452   4     Scifinder    Argatra
FAM_000325   PRD_000452   5     Scifinder    Argatroban
FAM_000325   PRD_000452   6     Scifinder    Argipidin
FAM_000325   PRD_000452   7     Scifinder    Argipidine
FAM_000325   PRD_000452   8     Scifinder    "DK 7419"
FAM_000325   PRD_000452   9     Scifinder    "GN 1600"
FAM_000325   PRD_000452   10    Scifinder    "MCI 9038"
FAM_000325   PRD_000452   11    Scifinder    "MD 805"
FAM_000325   PRD_000452   12    Scifinder    MQPA
FAM_000325   PRD_000452   13    Scifinder    Novastan
FAM_000325   PRD_000452   14    Scifinder    "OM 805"
FAM_000325   PRD_000452   15    Scifinder    Slonnon
FAM_000325   PRD_000452   16    Scifinder    "2-Piperidinecarboxylic acid, 1-[5-[(aminoiminomethyl)amino]-1-oxo-2-[[(1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl]amino]pentyl]-4-methyl-, [2R-[1(2S*),2alpha,4beta]]-[partial]-"
FAM_000325   PRD_000452   17    Merck        "(2R,4R)-1-[(2S)-5-[(Aminoiminomethyl)amino]-1-oxo-2-[[(1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl]amino]pentyl]-4-methyl-2-piperidinecarboxylic acid"
FAM_000325   PRD_000452   18    Merck        "(2R,4R)-4-methyl-1-[N2-(3-methyl-1,2,3,4-tetrahydro-8-quinolinesulfonyl)-L-arginyl]-2-piperidinecarboxylic acid"
FAM_000325   PRD_000452   19    Merck        "(2R,4R)-4-methyl-1-[(S)-N2-[[(R,S)-1,2,3,4-tetrahydro-3-methyl-8-quinolinyl]sulfonyl]arginyl]pipecolic acid"
FAM_000325   PRD_000452   20    Merck        MQPA
FAM_000325   PRD_000452   21    Merck        Argatroban
FAM_000325   PRD_000452   22    Merck        argipidine
FAM_000325   PRD_000452   23    Beilstein    Novastan
FAM_000325   PRD_000452   24    Beilstein    argatroban
FAM_000325   PRD_000452   25    Beilstein    novastan
FAM_000325   PRD_000452   26    Beilstein    "(2R,4R)-4-methyl-1-[N2-((RS)-3-methyl,1,2,3,4-tetrahydro-8-quinoline-sulfonyl)-L-arginyl]-2-piperdine-carboxylic acid monohydrate"
FAM_000325   PRD_000452   27    Beilstein    "(2R,4R_=4=methyl-1-[N2-((RS)-3-metyl-1,2,3,4-tetrahydro-8-quinolinesulfonyl)-L-arginyl]-2-piperdinecarboxylic acid hydrate"
FAM_000325   PRD_000452   28    Beilstein    "(2R,4R)-1-{N2-[(3-Methyl-1,2,3,4-tetrahydro-8-quinolinyl)sulfonyl]-L-arginyl}-2-piperidinecarboxylic acid"
FAM_000325   PRD_000452   29    Beilstein    "(2R,4R)-1-[(S)-5-Ganidino-2-(3-metyl-1,2,3,4-tetrahydro-quinoline-8-sulfonylamino)-pentanoyl]-4-methyl-piperidine-2-carboxylic acid"
FAM_000325   PRD_000452   30    KEGG         Argatroban
FAM_000325   PRD_000452   31    KEGG         "(2R,4R)-4-Methyl-1[Nalpha-[(3-methyl-1,2,3,4-tetrahydro-8-quinolinyl)sulfonyl]-L-arginyl)]-2-piperadinecarboxylic acid"
FAM_000325   PRD_000452   32    DrugBank     Argratroban
FAM_000325   PRD_000452   33    DrugBank     "(2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(3R)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid"
FAM_000325   PRD_000452   34    PubChem      Argatroban
FAM_000325   PRD_000452   35    PubChem      NCGC00164592-01
FAM_000325   PRD_000452   36    PubChem      TL8005144
FAM_000325   PRD_000452   37    PubChem      "(2R,4R)-4-Methyl-1[Nalpha-[(3-methyl-1,2,3,4-tetrahydro-8-quinolinyl)sulfonyl]-L-arginyl)]-2-piperadinecarboxylic acid"
FAM_000325   PRD_000452   38    ChemSpider   "2R,4R)-4-Methyl-1-[N2-(3-methyl-1,2,3,4-tetrahydro-8-quinolinesulfonyl)-L-arginyl]-2-piperidinecarboxylic Acid"
FAM_000325   PRD_000452   39    ChemSpider   "(2R,4R)-4-Methyl-1-((S)-N(sup 2)-(((RS)-1,2,3,4-tetrahydro-3-methyl-8-quinolyl)sulfonyl)arginyl)pipecolic acid"
FAM_000325   PRD_000452   40    ChemSpider   "2-Piperidinecarboxylic acid, 1-((2S)-5-((aminoiminomethyl)amino)-1-oxo-2-(((1,2,3,4-tetrah ydro-3-methyl-8-quinolinyl)sulfonyl)amino)pentyl)-4-methyl-, (2R,4R)-"
FAM_000325   PRD_000452   41    ChemSpider   "2-Piperidinecarboxylic acid, 1-(5-((aminoiminomethyl)amino)-1-oxo-2-(((1,2,3,4-tetrahydro- 3-methyl-8-quinolinyl)sulfonyl)amino)pentyl)-4-methyl-thyl-, (2R,4R)-"
FAM_000325   PRD_000452   42    ChemSpider   "ARGATROBANnecarboxylic acid, 1-(5-((aminoiminomethyl)amino)-1-oxo-2-(((1,2,3,4-tetrahydro- 3-methyl-8-quinolinyl)sulfonyl)amino)pentyl)-4-methyl-thyl-, (2R,4R)-"
FAM_000325   PRD_000452   43    ChemSpider   "Argatrobanumcarboxylic acid, 1-(5-((aminoiminomethyl)amino)-1-oxo-2-(((1,2,3,4-tetrahydro- 3-methyl-8-quinolinyl)sulfonyl)amino)pentyl)-4-methyl-thyl-, (2R,4R)-"
FAM_000325   PRD_000452   44    ChemSpider   "74863-84-6umcarboxylic acid, 1-(5-((aminoiminomethyl)amino)-1-oxo-2-(((1,2,3,4-tetrahydro- 3-methyl-8-quinolinyl)sulfonyl)amino)pentyl)-4-methyl-thyl-, (2R,4R)-"
FAM_000325   PRD_000452   45    ChemBank     "2-piperidinecarboxylic acid,1-(5-((aminoiminomethyl)amino)-1-oxo-2-(((1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl)amino)pentyl)-4-methyl-,(2R-(1(S*(R*)),2alpha,4beta))-"
FAM_000325   PRD_000452   46    ChemBank     21R-argatroban
FAM_000325   PRD_000452   47    ChemBank     "4-methyl-1-{N~2~-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonyl]arginyl}piperidine-2-carboxylic acid"
FAM_000325   PRD_000452   48    eMolecules   Argatroban
FAM_000325   PRD_000452   49    eMolecules   Argatroban-d3
FAM_000325   PRD_000452   50    eMolecules   (2R,4R)-4-Methyl-1[Nalpha-[(3-methyl-1,2,3,4-tetrahydro-8-
#
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_000325   PRD_000452   1     DrugBank             Function                  "Direct thrombin inhibitor/ anticoagulant"
FAM_000325   PRD_000452   2     DrugBank             Function                  "used for prophylaxis or treatment of thrombosis in patients with heparin-indcued thrombocytopenia"
FAM_000325   PRD_000452   3     DrugBank             Function                  "approved for use during percutaneous coronary interventions in patients with or at risk for HIT"
FAM_000325   PRD_000452   4     PubChem              Function                  "platelet aggregation inhibitor"
FAM_000325   PRD_000452   5     PubChem              Function                  anticoagulant
FAM_000325   PRD_000452   6     PMID:1518046         Function                  "Inhibitor of EPSILON-THROMBIN, EC: 3.4.21.5"
FAM_000325   PRD_000889   7     PubChem              "Pharmacological action"  "Thrombin inhibitor, platelet aggregation inhibitor"
#
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_000325   PRD_000452   1     1     MeSH                   MeSH_Unique_ID            C031942
FAM_000325   PRD_000452   2     1     Beilstein              External_reference_ID     4283166
FAM_000325   PRD_000452   3     1     KEGG                   KEGG_Compound_ID          C04931
FAM_000325   PRD_000452   4     1     DrugBank               External_reference_ID     DB00278
FAM_000325   PRD_000452   5     1     PubChem                External_reference_ID     440542
FAM_000325   PRD_000452   6     1     ChemSpider             External_reference_ID     83702
FAM_000325   PRD_000452   7     1     ChemDB                 External_reference_ID     3965498
FAM_000325   PRD_000452   8     1     ChemBank               External_reference_ID     2680
FAM_000325   PRD_000452   9     1     CAS                    External_reference_ID     74863-84-6
FAM_000325   PRD_000452   10    1     eMolecules             URL                       http://www.emolecules.com/cgi-bin/more?vid=1985554
FAM_000325   PRD_000452   11    2     PubChem                External_reference_ID     152951
FAM_000325   PRD_000452   12    1     BIDD                   External_reference_ID     GT0748
FAM_000325   PRD_000452   13    1     ChEBI                  External_reference_ID     194249
FAM_000325   PRD_000452   14    2     ChemSpider             External_reference_ID     134807
FAM_000325   PRD_000452   15    1     LeadScope              External_reference_ID     LS-114640
FAM_000325   PRD_000452   16    1     ChemIDplus             External_reference_ID     121785715
FAM_000325   PRD_000452   17    2     CAS                    External_reference_ID     121785-71-5
FAM_000325   PRD_000452   18    1     Merck                  External_reference_ID     14:779
FAM_000325   PRD_000889   19    1     CAS                    External_reference_ID     121785-72-6
FAM_000325   PRD_000889   20    1     PubChem                External_reference_ID     445156
#
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_000325	2012-02-08	RCSB	"Create family"	
FAM_000325	2013-10-16	RCSB	"Initial release"	
#
