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Target
Plasminogen
Ligand
BDBM50532402
Substrate
n/a
Meas. Tech.
ChEMBL_1923121 (CHEMBL4426077)
Ki
5.9±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:
BDBM50532402
Synonyms:
CHEMBL4466850
Type:
Small organic molecule
Emp. Form.:
C42H49F9N10O12S
Mol. Mass.:
1088.949
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)CN3CCN(CC3)CC(=O)Nc3ccc(C[C@@]([H])(NS(=O)(=O)N(C)C)C(=O)N1)cc3)cc2)C(=O)NCc1ccc(cc1)C(N)=N |r,wU:22.18,wD:47.45,(23.02,-28.7,;23.82,-30.04,;23.06,-31.4,;25.39,-30,;26.81,-29.98,;26.44,-31.25,;26.4,-28.72,;24.14,-22.95,;24.94,-24.29,;24.18,-25.66,;26.51,-24.26,;27.94,-24.24,;27.57,-25.51,;27.53,-22.98,;28.97,-26.25,;29.77,-27.59,;29.01,-28.95,;31.34,-27.55,;32.76,-27.53,;32.39,-28.8,;32.35,-26.27,;16.72,-19.01,;16.72,-20.55,;16.54,-22.18,;17.14,-23.59,;16.05,-24.72,;16.49,-26.22,;18.01,-26.6,;18.23,-28.1,;17.79,-29.8,;19.21,-30.41,;16.56,-30.73,;15.03,-30.72,;14.26,-32.06,;12.73,-32.05,;11.96,-30.73,;12.73,-29.4,;14.27,-29.39,;10.42,-30.73,;9.23,-29.77,;7.79,-30.32,;8.56,-27.52,;9.44,-26.09,;9.05,-24.6,;10.14,-23.53,;11.63,-23.94,;12.72,-22.86,;12.72,-21.32,;12.72,-19.79,;11.39,-20.55,;10.04,-21.33,;10.81,-22.68,;9.25,-22.68,;8.68,-20.56,;7.33,-21.34,;8.68,-18.99,;14.06,-20.55,;14.06,-19.01,;15.39,-21.32,;12.02,-25.42,;10.93,-26.5,;19.1,-25.46,;18.66,-23.96,;18.05,-21.32,;18.05,-22.86,;19.38,-20.55,;20.71,-21.32,;22.05,-20.55,;23.38,-21.33,;24.71,-20.56,;24.71,-19.02,;23.37,-18.26,;22.04,-19.03,;26.04,-18.25,;27.38,-19.02,;26.04,-16.7,)|
Structure:
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