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Target
Plasminogen
Ligand
BDBM50532389
Substrate
n/a
Meas. Tech.
ChEMBL_1923119 (CHEMBL4426075)
Ki
0.150000±n/a nM
Citation
 Hinkes, S; Wuttke, A; Saupe, SM; Ivanova, T; Wagner, S; Knörlein, A; Heine, A; Klebe, G; Steinmetzer, T Optimization of Cyclic Plasmin Inhibitors: From Benzamidines to Benzylamines. J Med Chem 59:6370-86 (2016) [PubMed]  Article 
Target
Name:
Plasminogen
Synonyms:
Activation peptide | Angiostatin | PLG | PLMN_HUMAN | Plasmin | Plasmin heavy chain A | Plasmin heavy chain A, short form | Plasmin light chain B
Type:
Enzyme
Mol. Mass.:
90579.18
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
810
Sequence:
MEHKEVVLLLLLFLKSGQGEPLDDYVNTQGASLFSVTKKQLGAGSIEECAAKCEEDEEFTCRAFQYHSKEQQCVIMAENRKSSIIIRMRDVVLFEKKVYLSECKTGNGKNYRGTMSKTKNGITCQKWSSTSPHRPRFSPATHPSEGLEENYCRNPDNDPQGPWCYTTDPEKRYDYCDILECEEECMHCSGENYDGKISKTMSGLECQAWDSQSPHAHGYIPSKFPNKNLKKNYCRNPDRELRPWCFTTDPNKRWELCDIPRCTTPPPSSGPTYQCLKGTGENYRGNVAVTVSGHTCQHWSAQTPHTHNRTPENFPCKNLDENYCRNPDGKRAPWCHTTNSQVRWEYCKIPSCDSSPVSTEQLAPTAPPELTPVVQDCYHGDGQSYRGTSSTTTTGKKCQSWSSMTPHRHQKTPENYPNAGLTMNYCRNPDADKGPWCFTTDPSVRWEYCNLKKCSGTEASVVAPPPVVLLPDVETPSEEDCMFGNGKGYRGKRATTVTGTPCQDWAAQEPHRHSIFTPETNPRAGLEKNYCRNPDGDVGGPWCYTTNPRKLYDYCDVPQCAAPSFDCGKPQVEPKKCPGRVVGGCVAHPHSWPWQVSLRTRFGMHFCGGTLISPEWVLTAAHCLEKSPRPSSYKVILGAHQEVNLEPHVQEIEVSRLFLEPTRKDIALLKLSSPAVITDKVIPACLPSPNYVVADRTECFITGWGETQGTFGAGLLKEAQLPVIENKVCNRYEFLNGRVQSTELCAGHLAGGTDSCQGDSGGPLVCFEKDKYILQGVTSWGLGCARPNKPGVYVRVSRFVTWIEGVMRNN
  
Inhibitor
Name:
BDBM50532389
Synonyms:
CHEMBL4458743
Type:
Small organic molecule
Emp. Form.:
C48H59F9N10O12S
Mol. Mass.:
1171.092
SMILES:
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[H][C@]1(Cc2ccc(NC(=O)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NS(=O)(=O)NC1CCCCC1 |r,wU:49.47,wD:22.18,(24.33,-27.66,;25.12,-28.98,;24.37,-30.34,;26.67,-28.95,;28.08,-28.93,;27.71,-30.19,;27.67,-27.68,;24.53,-22.53,;25.32,-23.86,;24.57,-25.21,;26.87,-23.83,;28.28,-23.8,;27.92,-25.06,;27.88,-22.56,;29.54,-25.73,;30.33,-27.05,;29.58,-28.41,;31.88,-27.02,;33.29,-27,;32.92,-28.26,;32.88,-25.75,;10.69,-19.49,;10.65,-21,;10.6,-22.53,;9.61,-23.69,;8.11,-23.4,;7.12,-24.55,;7.63,-25.99,;6.89,-27.47,;7.62,-28.82,;6.82,-30.14,;9.17,-28.87,;9.91,-30.22,;11.45,-30.27,;12.25,-28.97,;13.77,-29.01,;14.49,-30.35,;13.69,-31.64,;12.17,-31.59,;16.03,-30.39,;16.85,-29.07,;18.39,-29.12,;19.12,-30.48,;19.16,-27.77,;17.36,-26.29,;17.73,-24.79,;16.62,-23.72,;15.13,-24.14,;14.58,-22.3,;14.62,-20.36,;14.67,-18.84,;13.28,-21.08,;11.99,-20.29,;12.03,-18.76,;15.91,-21.16,;15.87,-22.68,;17.25,-20.44,;18.55,-21.24,;19.89,-20.52,;21.18,-21.33,;22.52,-20.6,;22.56,-19.09,;21.26,-18.29,;19.92,-19.01,;23.9,-18.36,;25.2,-19.16,;23.95,-16.83,;14.75,-25.65,;15.87,-26.72,;9.14,-26.26,;10.12,-25.11,;9.35,-20.21,;7.98,-20.94,;8.75,-22.28,;7.21,-22.27,;6.67,-20.13,;5.31,-20.87,;4,-20.07,;2.64,-20.8,;2.59,-22.34,;3.91,-23.16,;5.28,-22.42,)|
Structure:
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