Reaction Details
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Indoleamine 2,3-dioxygenase 1
Ligand
BDBM50571883
Substrate
n/a
Meas. Tech.
ChEMBL_2115935 (CHEMBL4824876)
IC50
2.0±n/a nM
Citation
Cherney, EC; Zhang, L; Guo, W; Huang, A; Williams, D; Seitz, S; Shan, W; Zhu, X; Gullo-Brown, J; Maley, D; Lin, TA; Hunt, JT; Huang, C; Yang, Z; D'Arienzo, CJ; Discenza, LN; Ranasinghe, A; Grubb, MF; Traeger, SC; Li, X; Johnston, KA; Kopcho, L; Fereshteh, M; Foster, KA; Stefanski, K; Delpy, D; Dhar, G; Anandam, A; Mahankali, S; Padmanabhan, S; Rajanna, P; Murali, V; Mariappan, TT; Pattasseri, S; Nimje, RY; Hong, Z; Kempson, J; Rampulla, R; Mathur, A; Gupta, A; Borzilleri, R; Vite, G; Balog, A Conformational-Analysis-Guided Discovery of 2,3-Disubstituted Pyridine IDO1 Inhibitors. ACS Med Chem Lett 12:1143-1150 (2021) [PubMed] Article More Info.:
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:
BDBM50571883
Synonyms:
CHEMBL4868709
Type:
Small organic molecule
Emp. Form.:
C23H29ClN2O2
Mol. Mass.:
400.942
SMILES:
[H][C@]1(CC[C@@H](CC1)c1ccnc(OC)c1C)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,16.18,wD:1.0,(28.06,-49.01,;28.46,-50.5,;27.14,-49.72,;25.81,-50.5,;25.81,-52.04,;27.14,-52.81,;28.46,-52.04,;24.48,-52.82,;23.14,-52.04,;21.81,-52.82,;21.81,-54.36,;23.16,-55.12,;23.17,-56.65,;21.84,-57.42,;24.48,-54.34,;25.81,-55.11,;29.8,-49.73,;29.81,-48.19,;31.14,-47.43,;31.14,-50.51,;31.13,-52.05,;29.79,-52.82,;32.46,-52.82,;32.45,-54.36,;33.78,-55.13,;35.12,-54.37,;36.46,-55.14,;35.12,-52.82,;33.79,-52.05,)|
Structure:
