Target
Plasminogen
Ligand
BDBM50532398
Substrate
n/a
Meas. Tech.
ChEMBL_1923119 (CHEMBL4426075)
Ki
0.420000±n/a nM
Citation
 Hinkes, SWuttke, ASaupe, SMIvanova, TWagner, SKnörlein, AHeine, AKlebe, GSteinmetzer, 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:
BDBM50532398
Synonyms:
CHEMBL4454130
Type:
Small organic molecule
Emp. Form.:
C46H55F9N10O12S
Mol. Mass.:
1143.039
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])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NS(=O)(=O)NC1CCCCC1 |r,wU:47.45,wD:22.18,(24.55,-27.92,;25.35,-29.25,;24.6,-30.62,;26.92,-29.22,;28.34,-29.2,;27.97,-30.47,;27.93,-27.94,;24.76,-22.74,;25.56,-24.08,;24.8,-25.45,;27.13,-24.05,;28.55,-24.03,;28.18,-25.3,;28.14,-22.77,;29.81,-25.97,;30.61,-27.31,;29.86,-28.67,;32.18,-27.27,;33.6,-27.25,;33.23,-28.52,;33.19,-25.99,;11.22,-20.81,;11.22,-22.34,;11.22,-23.88,;10.13,-24.96,;8.64,-24.55,;7.55,-25.62,;7.94,-27.11,;7.07,-28.53,;7.73,-30.78,;6.3,-31.33,;8.92,-31.74,;10.46,-31.74,;11.22,-30.41,;12.76,-30.4,;13.52,-31.73,;12.76,-33.06,;11.23,-33.06,;15.06,-31.74,;16.28,-30.81,;17.7,-31.41,;16.71,-29.11,;16.5,-27.61,;14.98,-27.24,;14.54,-25.73,;15.63,-24.61,;15.03,-23.2,;15.22,-21.58,;15.22,-20.04,;13.88,-22.34,;12.55,-21.58,;12.55,-20.04,;16.54,-22.34,;16.54,-23.88,;17.87,-21.58,;19.2,-22.34,;20.53,-21.58,;21.86,-22.35,;23.19,-21.58,;23.19,-20.05,;21.85,-19.28,;20.52,-20.05,;24.52,-19.28,;25.85,-20.04,;24.52,-17.74,;17.15,-24.98,;17.59,-26.48,;9.43,-27.51,;10.51,-26.43,;9.89,-21.58,;8.54,-22.35,;9.31,-23.7,;7.76,-23.7,;7.19,-21.58,;5.84,-22.36,;4.48,-21.59,;3.14,-22.37,;3.13,-23.93,;4.49,-24.71,;5.84,-23.93,)|
Structure:
Search PDB for entries with ligand similarity: