Reaction Details Report a problem with these data
Target
Plasminogen
Ligand
BDBM50514063
Substrate
n/a
Meas. Tech.
ChEMBL_1855589 (CHEMBL4356318)
IC50
0.420000±n/a nM
Citation
 Steinmetzer, T; Pilgram, O; Wenzel, BM; Wiedemeyer, SJA Fibrinolysis Inhibitors: Potential Drugs for the Treatment and Prevention of Bleeding. J Med Chem 63:1445-1472 (2020) [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:
Human
Description:
n/a
Residue:
810
Sequence:
MEHKEVVLLLLLFLKSGQGEPLDDYVNTQGASLFSVTKKQLGAGSIEECAAKCEEDEEFTCRAFQYHSKEQQCVIMAENRKSSIIIRMRDVVLFEKKVYLSECKTGNGKNYRGTMSKTKNGITCQKWSSTSPHRPRFSPATHPSEGLEENYCRNPDNDPQGPWCYTTDPEKRYDYCDILECEEECMHCSGENYDGKISKTMSGLECQAWDSQSPHAHGYIPSKFPNKNLKKNYCRNPDRELRPWCFTTDPNKRWELCDIPRCTTPPPSSGPTYQCLKGTGENYRGNVAVTVSGHTCQHWSAQTPHTHNRTPENFPCKNLDENYCRNPDGKRAPWCHTTNSQVRWEYCKIPSCDSSPVSTEQLAPTAPPELTPVVQDCYHGDGQSYRGTSSTTTTGKKCQSWSSMTPHRHQKTPENYPNAGLTMNYCRNPDADKGPWCFTTDPSVRWEYCNLKKCSGTEASVVAPPPVVLLPDVETPSEEDCMFGNGKGYRGKRATTVTGTPCQDWAAQEPHRHSIFTPETNPRAGLEKNYCRNPDGDVGGPWCYTTNPRKLYDYCDVPQCAAPSFDCGKPQVEPKKCPGRVVGGCVAHPHSWPWQVSLRTRFGMHFCGGTLISPEWVLTAAHCLEKSPRPSSYKVILGAHQEVNLEPHVQEIEVSRLFLEPTRKDIALLKLSSPAVITDKVIPACLPSPNYVVADRTECFITGWGETQGTFGAGLLKEAQLPVIENKVCNRYEFLNGRVQSTELCAGHLAGGTDSCQGDSGGPLVCFEKDKYILQGVTSWGLGCARPNKPGVYVRVSRFVTWIEGVMRNN
  
Inhibitor
Name:
BDBM50514063
Synonyms:
CHEMBL4447001
Type:
Small organic molecule
Emp. Form.:
C38H41F4N9O4
Mol. Mass.:
763.7837
SMILES:
CC(C)c1nc2nc(C)c(cc2[nH]1)-c1ccc(C[C@H](NC(=O)[C@H]2CC[C@H](CN)CC2)C(=O)Nc2ccc(cc2)-c2nnc([nH]2)C(F)(F)C(F)(F)C(O)=O)cc1 |r,wU:25.27,wD:22.23,18.19,(16.63,-38.54,;17.41,-37.21,;18.95,-37.23,;16.65,-35.87,;17.29,-34.47,;16.15,-33.42,;16.14,-31.87,;14.8,-31.11,;14.8,-29.57,;13.48,-31.88,;13.48,-33.42,;14.8,-34.18,;15.11,-35.7,;12.14,-31.11,;10.81,-31.88,;9.48,-31.11,;9.48,-29.57,;8.14,-28.8,;8.14,-27.26,;6.82,-26.49,;5.48,-27.26,;4.15,-26.49,;5.48,-28.8,;4.15,-29.58,;4.15,-31.12,;5.48,-31.88,;5.48,-33.42,;4.15,-34.19,;6.81,-31.12,;6.81,-29.58,;9.48,-26.49,;9.48,-24.95,;10.82,-27.26,;12.15,-26.49,;13.48,-27.27,;14.81,-26.49,;14.82,-24.95,;13.47,-24.19,;12.15,-24.96,;16.14,-24.18,;16.3,-22.65,;17.81,-22.33,;18.58,-23.66,;17.55,-24.8,;20.12,-23.65,;20.9,-24.98,;19.34,-24.98,;20.88,-22.31,;20.11,-20.98,;21.65,-20.98,;22.42,-22.31,;23.2,-23.64,;23.19,-20.97,;10.81,-28.8,;12.14,-29.56,)|
Structure:
Search PDB for entries with ligand similarity: