Reaction Details Report a problem with these data
Target
Stimulator of interferon genes protein
Ligand
BDBM50604563
Substrate
n/a
Meas. Tech.
ChEMBL_2248221 (CHEMBL5162431)
IC50
1.9±n/a nM
Citation
Chang, W; Altman, MD; Lesburg, CA; Perera, SA; Piesvaux, JA; Schroeder, GK; Wyss, DF; Cemerski, S; Chen, Y; DiNunzio, E; Haidle, AM; Ho, T; Kariv, I; Knemeyer, I; Kopinja, JE; Lacey, BM; Laskey, J; Lim, J; Long, BJ; Ma, Y; Maddess, ML; Pan, BS; Presland, JP; Spooner, E; Steinhuebel, D; Truong, Q; Zhang, Z; Fu, J; Addona, GH; Northrup, AB; Parmee, E; Tata, JR; Bennett, DJ; Cumming, JN; Siu, T; Trotter, BW Discovery of MK-1454: A Potent Cyclic Dinucleotide Stimulator of Interferon Genes Agonist for the Treatment of Cancer. J Med Chem 65:5675-5689 (2022) [PubMed]
More Info.:
Target
Name:
Stimulator of interferon genes protein
Synonyms:
ERIS | Endoplasmic reticulum interferon stimulator | MITA | Mediator of IRF3 activation | STING | STING1 | STING_HUMAN | Synonyms=ERIS | TMEM173 | Transmembrane protein 173 | hMITA | hSTING
Type:
Protein
Mol. Mass.:
42195.64
Organism:
Human
Description:
Q86WV6
Residue:
379
Sequence:
MPHSSLHPSIPCPRGHGAQKAALVLLSACLVTLWGLGEPPEHTLRYLVLHLASLQLGLLLNGVCSLAEELRHIHSRYRGSYWRTVRACLGCPLRRGALLLLSIYFYYSLPNAVGPPFTWMLALLGLSQALNILLGLKGLAPAEISAVCEKGNFNVAHGLAWSYYIGYLRLILPELQARIRTYNQHYNNLLRGAVSQRLYILLPLDCGVPDNLSMADPNIRFLDKLPQQTGDHAGIKDRVYSNSIYELLENGQRAGTCVLEYATPLQTLFAMSQYSQAGFSREDRLEQAKLFCRTLEDILADAPESQNNCRLIAYQEPADDSSFSLSQEVLRHLRQEEKEEVTVGSLKTSAVPSTSTMSQEPELLISGMEKPLPLRTDFS
Inhibitor
Name:
BDBM50604563
Synonyms:
CHEMBL5201164
Type:
Small organic molecule
Emp. Form.:
C21H30N12O11P2S2
Mol. Mass.:
752.614
SMILES:
N.N.[H][C@@]12CO[P@](S)(=O)O[C@@]3([H])[C@@]4([H])OC[C@]3(CO[P@](S)(=O)O[C@]([H])([C@@H]1O)[C@@H](O2)n1cnc2c1nc(N)[nH]c2=O)O[C@H]4n1cnc2c(N)ncnc12 |r,TLB:9:10:40.41:14.15|