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Target
Plasminogen
Ligand
BDBM50532391
Substrate
n/a
Meas. Tech.
ChEMBL_1923121 (CHEMBL4426077)
Ki
0.450000±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:
BDBM50532391
Synonyms:
CHEMBL4591922
Type:
Small organic molecule
Emp. Form.:
C46H56F9N9O12S
Mol. Mass.:
1130.041
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)CCCC |r,wU:49.47,wD:22.18,(25.66,-27.36,;26.46,-28.69,;25.7,-30.05,;28.02,-28.66,;29.44,-28.63,;29.07,-29.9,;29.03,-27.38,;25.74,-22.32,;26.54,-23.65,;25.78,-25.01,;28.1,-23.62,;29.52,-23.6,;29.15,-24.86,;29.11,-22.34,;26.34,-32.07,;27.14,-33.4,;26.39,-34.77,;28.71,-33.37,;30.12,-33.35,;29.75,-34.62,;29.71,-32.1,;11.88,-20.61,;11.84,-22.13,;11.79,-23.66,;10.8,-24.83,;9.29,-24.54,;8.29,-25.7,;8.8,-27.15,;8.05,-28.63,;8.79,-30,;7.98,-31.33,;10.35,-30.04,;11.09,-31.41,;12.65,-31.45,;13.45,-30.14,;14.98,-30.18,;15.7,-31.53,;14.9,-32.83,;13.37,-32.78,;17.26,-31.58,;18.07,-30.25,;19.63,-30.3,;20.37,-31.67,;20.4,-28.94,;18.59,-27.45,;18.96,-25.94,;17.84,-24.86,;16.34,-25.29,;15.79,-23.43,;15.84,-21.49,;15.88,-19.96,;14.49,-22.21,;13.18,-21.41,;13.23,-19.88,;17.13,-22.29,;17.09,-23.82,;18.48,-21.57,;19.78,-22.37,;21.13,-21.64,;22.43,-22.46,;23.78,-21.73,;23.83,-20.2,;22.52,-19.4,;21.17,-20.13,;25.17,-19.48,;26.48,-20.27,;25.22,-17.93,;15.97,-26.8,;17.09,-27.89,;10.32,-27.42,;11.3,-26.26,;10.53,-21.33,;9.16,-22.07,;9.93,-23.41,;8.38,-23.41,;7.84,-21.26,;6.47,-22,;5.14,-21.18,;3.77,-21.92,)|
Structure:
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