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Target
Indoleamine 2,3-dioxygenase 1
Ligand
BDBM50550034
Substrate
n/a
Meas. Tech.
ChEMBL_2026190 (CHEMBL4680003)
IC50
7.0±n/a nM
Citation
 Cherney, EC; Zhang, L; Nara, S; Zhu, X; Gullo-Brown, J; Maley, D; Lin, TA; Hunt, JT; Huang, C; Yang, Z; Darienzo, C; Discenza, L; Ranasinghe, A; Grubb, M; Ziemba, T; Traeger, SC; Li, X; Johnston, K; Kopcho, L; Fereshteh, M; Foster, K; Stefanski, K; Fargnoli, J; Swanson, J; Brown, J; Delpy, D; Seitz, SP; Borzilleri, R; Vite, G; Balog, A Discovery and Preclinical Evaluation of BMS-986242, a Potent, Selective Inhibitor of Indoleamine-2,3-dioxygenase 1. ACS Med Chem Lett 12:288-294 (2021) [PubMed]  Article 
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:
BDBM50550034
Synonyms:
CHEMBL4757725
Type:
Small organic molecule
Emp. Form.:
C24H24ClFN2O
Mol. Mass.:
410.912
SMILES:
[H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)c1cccc(Cl)c1 |r,wU:4.7,18.21,wD:1.0,(10.18,-37.54,;10.19,-39.08,;8.86,-38.31,;7.52,-39.08,;7.53,-40.62,;8.86,-41.39,;10.19,-40.62,;6.19,-41.39,;4.86,-40.63,;3.53,-41.4,;3.54,-42.93,;4.87,-43.69,;4.86,-45.23,;6.2,-46,;7.54,-45.23,;8.87,-46,;7.53,-43.68,;6.19,-42.92,;11.53,-38.31,;11.53,-36.77,;12.86,-39.09,;12.86,-40.62,;11.52,-41.39,;14.19,-41.4,;14.19,-42.93,;15.52,-43.71,;16.85,-42.94,;16.85,-41.39,;18.18,-40.62,;15.52,-40.63,)|
Structure:
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