Reaction Details Report a problem with these data
Target
Indoleamine 2,3-dioxygenase 1
Ligand
BDBM50602173
Substrate
n/a
Meas. Tech.
ChEMBL_2239424 (CHEMBL5153320)
Kd
640±n/a nM
Citation
 Bollu, LR; Bommi, PV; Monsen, PJ; Zhai, L; Lauing, KL; Bell, A; Kim, M; Ladomersky, E; Yang, X; Platanias, LC; Matei, DE; Bonini, MG; Munshi, HG; Hashizume, R; Wu, JD; Zhang, B; James, CD; Chen, P; Kocherginsky, M; Horbinski, C; Cameron, MD; Grigorescu, AA; Yamini, B; Lukas, RV; Schiltz, GE; Wainwright, DA Identification and Characterization of a Novel Indoleamine 2,3-Dioxygenase 1 Protein Degrader for Glioblastoma. J Med Chem 65:15642-15662 (2022) [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:
BDBM50602173
Synonyms:
CHEMBL5192805
Type:
Small organic molecule
Emp. Form.:
C49H55FN6O9
Mol. Mass.:
890.9942
SMILES:
[H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)C(=O)Nc1ccc(OC2CCN(CC2)C(=O)CCOCCOCCNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)cc1 |r,wU:4.4,18.21,wD:1.0,(13.83,-3.51,;13.83,-1.98,;15.16,-2.75,;16.44,-1.98,;16.44,-.44,;15.16,.33,;13.83,-.44,;17.78,.33,;19.11,-.44,;20.45,.33,;20.45,1.87,;19.11,2.64,;19.11,4.18,;17.78,4.95,;16.44,4.18,;15.16,4.95,;16.44,2.64,;17.78,1.87,;12.49,-2.75,;12.49,-4.28,;11.16,-1.98,;11.16,-.44,;9.83,-2.75,;8.49,-1.98,;7.16,-2.75,;5.82,-1.98,;5.82,-.44,;4.49,.33,;3.16,-.44,;3.16,-1.98,;1.82,-2.75,;.49,-1.98,;.49,-.44,;1.82,.33,;-.85,-2.75,;-.85,-4.28,;-2.18,-1.98,;-3.51,-2.75,;-4.85,-1.98,;-6.18,-2.75,;-7.52,-1.98,;-8.85,-2.75,;-10.18,-1.98,;-11.52,-2.75,;-12.85,-1.98,;-14.19,-2.75,;-14.19,-4.28,;-15.52,-5.05,;-16.85,-4.28,;-16.85,-2.75,;-17.98,-1.72,;-19.52,-2.03,;-17.37,-.28,;-18.14,1.05,;-19.68,1.05,;-20.45,2.39,;-19.68,3.72,;-20.45,5.05,;-18.14,3.72,;-17.37,2.39,;-15.83,2.39,;-15.83,-.44,;-14.8,.69,;-15.52,-1.98,;7.16,.33,;8.49,-.44,)|
Structure:
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