Reaction Details Report a problem with these data
Target
Ferrochelatase, mitochondrial [R115L]
Ligand
BDBM185151
Substrate
n/a
Meas. Tech.
Competition Binding Assays
Kd
4.5e+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:
BDBM185151
Synonyms:
4-[(5Z)-4-amino-5-(7-methoxyindol-2-ylidene)-1H-imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid | OSI-027
Type:
Small organic molecule
Emp. Form.:
C21H22N6O3
Mol. Mass.:
406.4378
SMILES:
COc1cccc2=C\C(N=c12)=c1\nc(C2CCC(CC2)C(O)=O)n2NC=NC(N)=c12 |c:28,t:6,9,31,(12.9,-6.58,;11.76,-5.55,;10.29,-6.03,;9.98,-7.54,;8.51,-8.02,;7.37,-6.99,;7.68,-5.48,;6.78,-4.24,;7.68,-3,;9.14,-3.47,;9.15,-5,;7.2,-1.54,;8.1,-.3,;7.2,.94,;7.68,2.4,;6.65,3.55,;7.13,5.01,;8.64,5.33,;9.67,4.18,;9.19,2.72,;9.12,6.79,;10.63,7.11,;8.09,7.94,;5.75,.47,;4.41,1.24,;3.08,.47,;3.08,-1.07,;4.41,-1.84,;4.41,-3.38,;5.75,-1.07,)|
Structure:
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