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Target
Plasminogen
Ligand
BDBM50532383
Substrate
n/a
Meas. Tech.
ChEMBL_1923121 (CHEMBL4426077)
Ki
0.510000±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:
BDBM50532383
Synonyms:
CHEMBL4571212
Type:
Small organic molecule
Emp. Form.:
C46H48F9N9O12S
Mol. Mass.:
1121.977
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)c1ccccc1 |r,wU:47.45,wD:22.18,(25.74,-27.44,;26.54,-28.78,;25.78,-30.14,;28.11,-28.75,;29.53,-28.72,;29.16,-29.99,;29.12,-27.47,;25.82,-22.39,;26.62,-23.73,;25.86,-25.09,;28.19,-23.69,;29.61,-23.67,;29.24,-24.94,;29.2,-22.41,;26.43,-32.17,;27.23,-33.51,;26.47,-34.87,;28.8,-33.48,;30.22,-33.45,;29.85,-34.72,;29.81,-32.2,;11.04,-20.93,;11.04,-22.46,;11.04,-23.99,;9.95,-25.08,;8.46,-24.66,;7.37,-25.74,;7.76,-27.22,;6.89,-28.65,;7.55,-30.89,;6.11,-31.45,;8.74,-31.86,;10.28,-31.86,;11.04,-30.52,;12.58,-30.52,;13.34,-31.85,;12.58,-33.18,;11.04,-33.17,;14.87,-31.85,;16.1,-30.93,;17.51,-31.53,;16.53,-29.23,;16.31,-27.73,;14.8,-27.35,;14.36,-25.85,;15.45,-24.72,;14.85,-23.32,;15.03,-21.69,;15.03,-20.15,;13.7,-22.46,;12.37,-21.69,;12.37,-20.15,;16.36,-22.46,;16.36,-23.99,;17.69,-21.69,;19.02,-22.46,;20.35,-21.69,;21.68,-22.47,;23.01,-21.7,;23.01,-20.17,;21.67,-19.4,;20.34,-20.17,;24.34,-19.4,;25.67,-20.16,;24.33,-17.85,;16.97,-25.1,;17.41,-26.59,;9.25,-27.63,;10.33,-26.55,;9.71,-21.69,;9.71,-20.13,;10.11,-18.61,;11.22,-19.72,;8.35,-19.35,;8.36,-17.8,;7.01,-17.02,;5.65,-17.8,;5.66,-19.37,;7.01,-20.14,)|
Structure:
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