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Target
Plasminogen
Ligand
BDBM50532396
Substrate
n/a
Meas. Tech.
ChEMBL_1923121 (CHEMBL4426077)
Ki
8.0±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:
BDBM50532396
Synonyms:
CHEMBL4519782
Type:
Small organic molecule
Emp. Form.:
C50H54F9N9O11
Mol. Mass.:
1128.0031
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)Cc1ccccc1 |r,wU:49.47,wD:22.18,(53.09,-30.89,;53.88,-32.21,;53.13,-33.56,;55.43,-32.18,;56.83,-32.16,;56.47,-33.42,;56.43,-30.91,;53.5,-22.48,;54.29,-23.8,;53.54,-25.15,;55.84,-23.77,;57.25,-23.75,;56.88,-25,;56.84,-22.5,;53.81,-26.94,;54.61,-28.27,;53.86,-29.62,;56.16,-28.24,;57.56,-28.21,;57.2,-29.47,;57.15,-26.97,;36.73,-23.54,;36.69,-25.05,;36.64,-26.57,;35.66,-27.73,;34.16,-27.44,;33.17,-28.59,;33.68,-30.03,;32.93,-31.5,;33.67,-32.86,;32.86,-34.18,;35.21,-32.9,;35.95,-34.26,;37.49,-34.3,;38.29,-33,;39.81,-33.04,;40.52,-34.38,;39.73,-35.67,;38.21,-35.62,;42.06,-34.42,;42.88,-33.11,;44.42,-33.16,;45.15,-34.51,;45.18,-31.81,;43.39,-30.33,;43.76,-28.83,;42.65,-27.76,;41.16,-28.19,;40.61,-26.35,;40.66,-24.41,;40.7,-22.89,;39.32,-25.13,;38.03,-24.34,;38.07,-22.82,;41.94,-25.21,;41.9,-26.73,;43.28,-24.49,;44.57,-25.29,;45.91,-24.57,;47.2,-25.38,;48.54,-24.65,;48.58,-23.14,;47.28,-22.34,;45.95,-23.07,;49.92,-22.42,;51.22,-23.21,;49.96,-20.89,;40.78,-29.69,;41.9,-30.76,;35.18,-30.3,;36.16,-29.15,;35.39,-24.26,;34.04,-24.99,;33.99,-26.54,;32.72,-24.18,;32.76,-22.64,;34.12,-21.91,;34.16,-20.37,;32.85,-19.56,;31.48,-20.3,;31.45,-21.84,)|
Structure:
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