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Target
Plasminogen
Ligand
BDBM50532404
Substrate
n/a
Meas. Tech.
ChEMBL_1923121 (CHEMBL4426077)
Ki
3.7±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:
BDBM50532404
Synonyms:
CHEMBL4443405
Type:
Small organic molecule
Emp. Form.:
C45H62F9N11O12S
Mol. Mass.:
1152.091
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)NCCCCNC(N)=N)cc3)cc2)NS(=O)(=O)NC1CCCCC1 |r,wU:49.47,wD:22.18,(22.67,-28.26,;23.46,-29.58,;22.72,-30.93,;25.01,-29.55,;26.41,-29.53,;26.05,-30.78,;26.01,-28.29,;23.48,-22.9,;24.27,-24.22,;23.53,-25.56,;25.82,-24.18,;27.22,-24.16,;26.86,-25.41,;26.82,-22.92,;28.24,-26.14,;29.03,-27.46,;28.28,-28.81,;30.57,-27.43,;31.97,-27.4,;31.61,-28.66,;31.57,-26.16,;8.32,-18.89,;8.28,-20.39,;8.23,-21.91,;7.25,-23.07,;5.75,-22.78,;4.77,-23.93,;5.27,-25.36,;4.53,-26.83,;5.27,-28.18,;4.46,-29.49,;6.8,-28.22,;7.54,-29.57,;9.08,-29.62,;9.87,-28.32,;11.39,-28.36,;12.1,-29.69,;11.31,-30.99,;9.8,-30.94,;13.64,-29.74,;14.45,-28.43,;15.99,-28.48,;16.72,-29.83,;16.75,-27.13,;14.96,-25.66,;15.33,-24.16,;14.22,-23.1,;12.74,-23.52,;12.19,-21.68,;12.23,-19.76,;12.28,-18.24,;10.9,-20.47,;9.61,-19.68,;9.65,-18.16,;13.52,-20.55,;13.47,-22.06,;14.85,-19.83,;16.14,-20.63,;17.48,-19.91,;18.79,-20.72,;20.14,-20,;21.45,-20.81,;22.81,-20.08,;24.12,-20.89,;22.86,-18.54,;12.36,-25.02,;13.47,-26.09,;6.77,-25.63,;7.75,-24.48,;6.99,-19.6,;5.62,-20.33,;6.39,-21.66,;4.85,-21.66,;4.32,-19.53,;2.96,-20.26,;1.65,-19.46,;.3,-20.19,;.25,-21.73,;1.57,-22.54,;2.93,-21.81,)|
Structure:
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