Reaction Details  Report a problem with these data
Target
Indoleamine 2,3-dioxygenase 1
Ligand
BDBM50614704
Substrate
n/a
Meas. Tech.
ChEMBL_2298650
IC50
3.4±n/a nM
Citation
 Markwalder, JA; Balog, AJ; Williams, DK; Nara, SJ; Reddy, R; Roy, S; Kanyaboina, Y; Li, X; Johnston, K; Fan, Y; Lewis, H; Marsilio, F; Yan, C; Critton, D; Newitt, JA; Traeger, SC; Wu, DR; Jure-Kunkel, MN; Jayaraman, L; Lin, TA; Sinz, MW; Hunt, JT; Seitz, SP Synthesis and biological evaluation of biaryl alkyl ethers as inhibitors of IDO1. Bioorg Med Chem Lett 88:0 (2023) [PubMed]
Target
Name:
Indoleamine 2,3-dioxygenase 1
Synonyms:
I23O1_HUMAN | IDO | IDO-1 | IDO1 | INDO | Indoleamine 2,3-Dioxygenasae (IDO) | Indoleamine 2,3-dioxygenase | Indoleamine-pyrrole 2,3-dioxygenase
Type:
Enzyme
Mol. Mass.:
45330.80
Organism:
Homo sapiens (Human)
Description:
P14902
Residue:
403
Sequence:
MAHAMENSWTISKEYHIDEEVGFALPNPQENLPDFYNDWMFIAKHLPDLIESGQLRERVEKLNMLSIDHLTDHKSQRLARLVLGCITMAYVWGKGHGDVRKVLPRNIAVPYCQLSKKLELPPILVYADCVLANWKKKDPNKPLTYENMDVLFSFRDGDCSKGFFLVSLLVEIAAASAIKVIPTVFKAMQMQERDTLLKALLEIASCLEKALQVFHQIHDHVNPKAFFSVLRIYLSGWKGNPQLSDGLVYEGFWEDPKEFAGGSAGQSSVFQCFDVLLGIQQTAGGGHAAQFLQDMRRYMPPAHRNFLCSLESNPSVREFVLSKGDAGLREAYDACVKALVSLRSYHLQIVTKYILIPASQQPKENKTSEDPSKLEAKGTGGTDLMNFLKTVRSTTEKSLLKEG
  
Inhibitor
Name:
BDBM50614704
Synonyms:
CHEMBL5279540
Type:
Small organic molecule
Emp. Form.:
C33H28N6O2
Mol. Mass.:
540.6144
SMILES:
Cc1ccc(NC(=O)Nc2cc(cc3[C@H](c4ccccc4)C(Oc23)(C=C)C=C)-c2ccccc2-c2nn[nH]n2)cc1 |r|
Structure:
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