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Target
Heme oxygenase 2
Ligand
BDBM50459706
Substrate
n/a
Meas. Tech.
ChEMBL_2066554 (CHEMBL4721807)
IC50
7640±n/a nM
Citation
 Wijeratne, A; Xiao, J; Reutter, C; Furness, KW; Leon, R; Zia-Ebrahimi, M; Cavitt, RN; Strelow, JM; Van Horn, RD; Peng, SB; Barda, DA; Engler, TA; Chalmers, MJ Chemical Proteomic Characterization of a Covalent KRASG12C Inhibitor. ACS Med Chem Lett 9:557-562 (2018) [PubMed]  Article 
Target
Name:
Heme oxygenase 2
Synonyms:
1.14.14.18 | HMOX2 | HMOX2_HUMAN | HO-2 | HO2 | Heme oxygenase 2
Type:
PROTEIN
Mol. Mass.:
36025.41
Organism:
Homo sapiens
Description:
ChEMBL_11321
Residue:
316
Sequence:
MSAEVETSEGVDESEKKNSGALEKENQMRMADLSELLKEGTKEAHDRAENTQFVKDFLKGNIKKELFKLATTALYFTYSALEEEMERNKDHPAFAPLYFPMELHRKEALTKDMEYFFGENWEEQVQCPKAAQKYVERIHYIGQNEPELLVAHAYTRYMGDLSGGQVLKKVAQRALKLPSTGEGTQFYLFENVDNAQQFKQLYRARMNALDLNMKTKERIVEEANKAFEYNMQIFNELDQAGSTLARETLEDGFPVHDGKGDMRKCPFYAAEQDKGALEGSSCPFRTAMAVLRKPSLQFILAAGVALAAGLLAWYYM
  
Inhibitor
Name:
BDBM50459706
Synonyms:
CHEMBL4214264
Type:
Small organic molecule
Emp. Form.:
C21H17ClF2N4O2
Mol. Mass.:
430.835
SMILES:
Oc1cccc(F)c1-c1c(Cl)cc2c(ncnc2c1F)N1CCN(CC1)C(=O)C=C |(15.91,-23.99,;14.37,-23.99,;13.61,-22.65,;12.06,-22.66,;11.29,-23.99,;12.07,-25.31,;11.29,-26.64,;13.61,-25.32,;14.37,-26.64,;15.91,-26.64,;16.68,-25.31,;16.68,-27.97,;15.91,-29.32,;16.67,-30.65,;15.91,-31.97,;14.36,-31.97,;13.6,-30.64,;14.37,-29.31,;13.6,-27.98,;12.05,-27.98,;18.21,-30.64,;18.98,-31.98,;20.51,-31.99,;21.3,-30.65,;20.52,-29.31,;18.98,-29.3,;22.84,-30.66,;23.61,-29.32,;23.6,-32,;25.15,-32,)|
Structure:
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