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Target
Cholinesterase
Ligand
BDBM50004246
Substrate
n/a
Meas. Tech.
ChEMBL_1339870 (CHEMBL3243659)
IC50
9940±n/a nM
Citation
 Aslam, S; Zaib, S; Ahmad, M; Gardiner, JM; Ahmad, A; Hameed, A; Furtmann, N; Gütschow, M; Bajorath, J; Iqbal, J Novel structural hybrids of pyrazolobenzothiazines with benzimidazoles as cholinesterase inhibitors. Eur J Med Chem 78:106-17 (2014) [PubMed]  Article 
Target
Name:
Cholinesterase
Synonyms:
BCHE | Butyrylcholinesterase (BuChE) | CHLE_HORSE | Cholinesterase
Type:
Enzyme
Mol. Mass.:
65643.35
Organism:
Equus caballus (Horse)
Description:
P81908
Residue:
574
Sequence:
EEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATKYANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQKNIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEARNRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLTDMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPRVSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTRKFSELGNDAFFYYFEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTRAEEILSRSIMKRWANFAKYGNPNGTQNNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAEREWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF
  
Inhibitor
Name:
BDBM50004246
Synonyms:
CHEMBL3237464
Type:
Small organic molecule
Emp. Form.:
C29H20ClN5O2S
Mol. Mass.:
538.019
SMILES:
CN1c2c(nn(c2-c2ccccc2)-c2ccc(cc2)-c2nc3cc(Cl)ccc3[nH]2)-c2ccccc2S1(=O)=O
Structure:
Search PDB for entries with ligand similarity: