Reaction Details Report a problem with these data
Target
Ferrochelatase, mitochondrial [R115L]
Ligand
BDBM5446
Substrate
n/a
Meas. Tech.
Competition Binding Assays
Kd
9.3e+3±n/a nM
Citation
 Klaeger, S; Gohlke, B; Perrin, J; Gupta, V; Heinzlmeir, S; Helm, D; Qiao, H; Bergamini, G; Handa, H; Savitski, MM; Bantscheff, M; Médard, G; Preissner, R; Kuster, B Chemical Proteomics Reveals Ferrochelatase as a Common Off-target of Kinase Inhibitors. ACS Chem Biol 11:1245-54 (2016) [PubMed]  Article 
Target
Name:
Ferrochelatase, mitochondrial [R115L]
Synonyms:
FECH | Ferrochelatase R115L (FECH) | HEMH_HUMAN
Type:
Protein
Mol. Mass.:
47832.73
Organism:
Homo sapiens (Human)
Description:
Mutant R115L used for experiment
Residue:
423
Sequence:
MRSLGANMAAALRAAGVLLRDPLASSSWRVCQPWRWKSGAAAAAVTTETAQHAQGAKPQVQPQKRKPKTGILMLNMGGPETLGDVHDFLLRLFLDRDLMTLPIQNKLAPFIAKRLTPKIQEQYRRIGGGSPIKIWTSKQGEGMVKLLDELSPNTAPHKYYIGFRYVHPLTEEAIEEMERDGLERAIAFTQYPQYSCSTTGSSLNAIYRYYNQVGRKPTMKWSTIDRWPTHHLLIQCFADHILKELDHFPLEKRSEVVILFSAHSLPMSVVNRGDPYPQEVSATVQKVMERLEYCNPYRLVWQSKVGPMPWLGPQTDESIKGLCERGRKNILLVPIAFTSDHIETLYELDIEYSQVLAKECGVENIRRAESLNGNPLFSKALADLVHSHIQSNELCSKQLTLSCPLCVNPVCRETKSFFTSQQL
  
Inhibitor
Name:
BDBM5446
Synonyms:
CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | Erotinib | N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine Monohydrochloride | N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine | OSI-774 | Tarceva | US10189853, erlotinib | US10507209, Compound Erlotinib | US11524945, Compound Erlotinib | US9409845, Table 1, Compound 22: erlotinib | US9730934, Erlotinib | WO2022090481, Example erlotinib | cid_176870
Type:
Small organic molecule
Emp. Form.:
C22H23N3O4
Mol. Mass.:
393.4357
SMILES:
COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Structure:
Search PDB for entries with ligand similarity: