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Target
Plasminogen
Ligand
BDBM50532406
Substrate
n/a
Meas. Tech.
ChEMBL_1923121 (CHEMBL4426077)
Ki
0.770000±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:
BDBM50532406
Synonyms:
CHEMBL4545331
Type:
Small organic molecule
Emp. Form.:
C50H54F9N9O12
Mol. Mass.:
1144.0025
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)NC(=O)OCc1ccccc1 |r,wU:49.47,wD:22.18,(28.26,-22.28,;29.05,-23.61,;28.3,-24.96,;30.6,-23.57,;32.01,-23.55,;31.64,-24.81,;31.6,-22.31,;22.31,-21.79,;23.1,-23.12,;22.35,-24.46,;24.65,-23.08,;26.06,-23.06,;25.69,-24.32,;25.65,-21.82,;23.44,-28.1,;24.23,-29.42,;23.48,-30.77,;25.78,-29.39,;27.19,-29.37,;26.82,-30.63,;26.78,-28.12,;8.28,-19.98,;8.23,-21.49,;8.19,-23.01,;7.2,-24.17,;5.7,-23.88,;4.72,-25.03,;5.22,-26.46,;4.48,-27.94,;5.22,-29.3,;4.41,-30.61,;6.76,-29.34,;7.5,-30.69,;9.04,-30.74,;9.83,-29.44,;11.35,-29.48,;12.07,-30.81,;11.27,-32.11,;9.76,-32.06,;13.61,-30.86,;14.42,-29.55,;15.97,-29.59,;16.7,-30.95,;16.73,-28.25,;14.94,-26.77,;15.3,-25.27,;14.19,-24.2,;12.71,-24.63,;12.16,-22.78,;12.2,-20.85,;12.25,-19.33,;10.87,-21.57,;9.57,-20.77,;9.62,-19.25,;13.49,-21.65,;13.44,-23.17,;14.83,-20.93,;16.12,-21.72,;17.46,-21.01,;18.75,-21.81,;20.09,-21.09,;20.13,-19.57,;18.83,-18.78,;17.5,-19.5,;21.47,-18.86,;22.76,-19.65,;21.51,-17.33,;12.33,-26.12,;13.44,-27.2,;6.73,-26.74,;7.7,-25.59,;6.94,-20.7,;5.58,-21.43,;5.54,-22.97,;4.27,-20.62,;4.31,-19.08,;2.99,-18.27,;3.03,-16.73,;1.72,-15.92,;.36,-16.66,;.32,-18.21,;1.64,-19.01,)|
Structure:
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