Reaction Details Report a problem with these data
Target
Toll-like receptor 7
Ligand
BDBM21958
Substrate
n/a
Meas. Tech.
ChEMBL_2222668 (CHEMBL5136002)
IC50
0.300000±n/a nM
Citation
 Sreekantha, RK; Mussari, CP; Dodd, DS; Pasunoori, L; Hegde, S; Posy, SL; Critton, D; Ruepp, S; Subramanian, M; Salter-Cid, LM; Tagore, DM; Sarodaya, S; Dudhgaonkar, S; Poss, MA; Schieven, GL; Carter, PH; Macor, JE; Dyckman, AJ Identification of 2-Pyridinylindole-Based Dual Antagonists of Toll-like Receptors 7 and 8 (TLR7/8). ACS Med Chem Lett 13:812-818 (2022) [PubMed] 
Target
Name:
Toll-like receptor 7
Synonyms:
TLR7_MOUSE | Tlr7
Type:
PROTEIN
Mol. Mass.:
121844.65
Organism:
Mus musculus
Description:
ChEMBL_933765
Residue:
1050
Sequence:
MVFSMWTRKRQILIFLNMLLVSRVFGFRWFPKTLPCEVKVNIPEAHVIVDCTDKHLTEIPEGIPTNTTNLTLTINHIPSISPDSFRRLNHLEEIDLRCNCVPVLLGSKANVCTKRLQIRPGSFSGLSDLKALYLDGNQLLEIPQDLPSSLHLLSLEANNIFSITKENLTELVNIETLYLGQNCYYRNPCNVSYSIEKDAFLVMRNLKVLSLKDNNVTAVPTTLPPNLLELYLYNNIIKKIQENDFNNLNELQVLDLSGNCPRCYNVPYPCTPCENNSPLQIHDNAFNSLTELKVLRLHSNSLQHVPPTWFKNMRNLQELDLSQNYLAREIEEAKFLHFLPNLVELDFSFNYELQVYHASITLPHSLSSLENLKILRVKGYVFKELKNSSLSVLHKLPRLEVLDLGTNFIKIADLNIFKHFENLKLIDLSVNKISPSEESREVGFCPNAQTSVDRHGPQVLEALHYFRYDEYARSCRFKNKEPPSFLPLNADCHIYGQTLDLSRNNIFFIKPSDFQHLSFLKCLNLSGNTIGQTLNGSELWPLRELRYLDFSNNRLDLLYSTAFEELQSLEVLDLSSNSHYFQAEGITHMLNFTKKLRLLDKLMMNDNDISTSASRTMESDSLRILEFRGNHLDVLWRAGDNRYLDFFKNLFNLEVLDISRNSLNSLPPEVFEGMPPNLKNLSLAKNGLKSFFWDRLQLLKHLEILDLSHNQLTKVPERLANCSKSLTTLILKHNQIRQLTKYFLEDALQLRYLDISSNKIQVIQKTSFPENVLNNLEMLVLHHNRFLCNCDAVWFVWWVNHTDVTIPYLATDVTCVGPGAHKGQSVISLDLYTCELDLTNLILFSVSISSVLFLMVVMTTSHLFFWDMWYIYYFWKAKIKGYQHLQSMESCYDAFIVYDTKNSAVTEWVLQELVAKLEDPREKHFNLCLEERDWLPGQPVLENLSQSIQLSKKTVFVMTQKYAKTESFKMAFYLSHQRLLDEKVDVIILIFLEKPLQKSKFLQLRKRLCRSSVLEWPANPQAHPYFWQCLKNALTTDNHVAYSQMFKETV
  
Inhibitor
Name:
BDBM21958
Synonyms:
2-(2,6-dimethylpyridin-4-yl)-3-isopropyl-5-(piperidin-4-yl)-1H-indole Hydrochloride | US10660877, Example 1
Type:
Small organic molecule
Emp. Form.:
C23H29N3
Mol. Mass.:
347.4965
SMILES:
CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1cc(C)nc(C)c1
Structure:
Search PDB for entries with ligand similarity: