Reaction Details Report a problem with these data
Target
Ferrochelatase, mitochondrial [R115L]
Ligand
BDBM185145
Substrate
n/a
Meas. Tech.
Competition Binding Assays
Kd
4.4e+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:
BDBM185145
Synonyms:
7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine | AEW-541
Type:
Small organic molecule
Emp. Form.:
C27H29N5O
Mol. Mass.:
439.5521
SMILES:
Nc1ncnc2n(cc(-c3cccc(OCc4ccccc4)c3)c12)C1CC(CN2CCC2)C1 |(4.47,1.16,;4.47,-.38,;3.14,-1.15,;3.14,-2.69,;4.47,-3.46,;5.81,-2.69,;7.27,-3.16,;8.16,-1.92,;7.27,-.68,;7.74,.79,;9.25,1.1,;9.73,2.57,;8.7,3.71,;7.19,3.4,;6.17,4.54,;6.64,6.01,;5.62,7.15,;6.09,8.62,;5.07,9.76,;3.56,9.44,;3.08,7.98,;4.11,6.83,;6.72,1.93,;5.81,-1.15,;7.74,-4.62,;9.12,-5.32,;8.42,-6.69,;8.9,-8.15,;10.41,-8.47,;11.25,-9.76,;12.54,-8.92,;11.7,-7.63,;7.05,-5.99,)|
Structure:
Search PDB for entries with ligand similarity: