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Target
Indoleamine 2,3-dioxygenase 1
Ligand
BDBM50514752
Substrate
n/a
Meas. Tech.
ChEMBL_1858297 (CHEMBL4359026)
IC50
112±n/a nM
Citation
 Serafini, M; Torre, E; Aprile, S; Grosso, ED; Gesł, A; Griglio, A; Colombo, G; Travelli, C; Paiella, S; Adamo, A; Orecchini, E; Coletti, A; Pallotta, MT; Ugel, S; Massarotti, A; Pirali, T; Fallarini, S Discovery of Highly Potent Benzimidazole Derivatives as Indoleamine 2,3-Dioxygenase-1 (IDO1) Inhibitors: From Structure-Based Virtual Screening to  J Med Chem 63:3047-3065 (2020) [PubMed]  Article 
Target
Name:
Indoleamine 2,3-dioxygenase 1
Synonyms:
I23O1_MOUSE | IDO-1 | Ido | Ido1 | Indo | Indoleamine-pyrrole 2,3-dioxygenase
Type:
PROTEIN
Mol. Mass.:
45639.39
Organism:
Mus musculus
Description:
ChEMBL_1452149
Residue:
407
Sequence:
MALSKISPTEGSRRILEDHHIDEDVGFALPHPLVELPDAYSPWVLVARNLPVLIENGQLREEVEKLPTLSTDGLRGHRLQRLAHLALGYITMAYVWNRGDDDVRKVLPRNIAVPYCELSEKLGLPPILSYADCVLANWKKKDPNGPMTYENMDILFSFPGGDCDKGFFLVSLLVEIAASPAIKAIPTVSSAVERQDLKALEKALHDIATSLEKAKEIFKRMRDFVDPDTFFHVLRIYLSGWKCSSKLPEGLLYEGVWDTPKMFSGGSAGQSSIFQSLDVLLGIKHEAGKESPAEFLQEMREYMPPAHRNFLFFLESAPPVREFVISRHNEDLTKAYNECVNGLVSVRKFHLAIVDTYIMKPSKKKPTDGDKSEEPSNVESRGTGGTNPMTFLRSVKDTTEKALLSWP
  
Inhibitor
Name:
BDBM50514752
Synonyms:
CHEMBL4458549
Type:
Small organic molecule
Emp. Form.:
C23H18N4O
Mol. Mass.:
366.4152
SMILES:
O=C(NCc1cccc(Cn2cnc3ccccc23)c1)c1ccc(cc1)C#N
Structure:
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