Reaction Details  Report a problem with these data
Target
Indoleamine 2,3-dioxygenase 1
Ligand
BDBM50550032
Substrate
n/a
Meas. Tech.
ChEMBL_2026190 (CHEMBL4680003)
IC50
24±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:
BDBM50550032
Synonyms:
CHEMBL4793928
Type:
Small organic molecule
Emp. Form.:
C26H32ClFN2O
Mol. Mass.:
442.996
SMILES:
[H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)C12CCC(Cl)(CC1)CC2 |r,wU:4.7,18.21,wD:1.0,(41.72,-37.44,;41.74,-38.98,;40.4,-38.21,;39.06,-38.98,;39.07,-40.52,;40.41,-41.29,;41.73,-40.52,;37.73,-41.29,;36.4,-40.52,;35.07,-41.3,;35.09,-42.83,;36.41,-43.58,;36.41,-45.13,;37.74,-45.9,;39.08,-45.13,;40.41,-45.9,;39.07,-43.58,;37.74,-42.82,;43.07,-38.21,;43.08,-36.67,;44.41,-38.98,;44.4,-40.52,;43.06,-41.29,;45.74,-41.29,;45.73,-42.83,;47.06,-43.6,;48.4,-42.83,;49.73,-43.6,;48.4,-41.29,;47.06,-40.52,;47.67,-41.67,;46.82,-42.38,)|
Structure:
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