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Target
Neuraminidase NanB
Ligand
BDBM50466473
Substrate
n/a
Meas. Tech.
ChEMBL_1793221 (CHEMBL4265140)
IC50
>1000000±n/a nM
Citation
 Slack, TJ; Li, W; Shi, D; McArthur, JB; Zhao, G; Li, Y; Xiao, A; Khedri, Z; Yu, H; Liu, Y; Chen, X Triazole-linked transition state analogs as selective inhibitors against V. cholerae sialidase. Bioorg Med Chem 26:5751-5757 (2018) [PubMed]  Article 
Target
Name:
Neuraminidase NanB
Synonyms:
Neuraminidase B (NanB)
Type:
Enzyme
Mol. Mass.:
77697.72
Organism:
Streptococcus pneumoniae
Description:
Q54727; spr1531
Residue:
697
Sequence:
MNKRGLYSKLGISVVGISLLMGVPTLIHANELNYGQLSISPIFQGGSYQLNNKSIDISSLLLDKLSGESQTVVMKFKADKPNSLQALFGLSNSKAGFKNNYFSIFMRDSGEIGVEIRDAQKGINYLFSRPASLWGKHKGQAVENTLVFVSDSKDKTYTMYVNGIEVFSETVDTFLPISNINGIDKATLGAVNREGKEHYLAKGSIDEISLFNKAISDQEVSTIPLSNPFQLIFQSGDSTQANYFRIPTLYTLSSGRVLSSIDARYGGTHDSKSKINIATSYSDDNGKTWSEPIFAMKFNDYEEQLVYWPRDNKLKNSQISGSASFIDSSIVEDKKSGKTILLADVMPAGIGNNNANKADSGFKEINGHYYLKLKKNGDNDFRYTVRENGVVYNETTNKPTNYTINDKYEVLEGGKSLTVEQYSVDFDSGSLRERHNGKQVPMNVFYKDSLFKVTPTNYIAMTTSQNRGESWEQFKLLPPFLGEKHNGTYLCPGQGLALKSSNRLIFATYTSGELTYLISDDSGQTWKKSSASIPFKNATAEAQMVELRDGVIRTFFRTTTGKIAYMTSRDSGETWSKVSYIDGIQQTSYGTQVSAIKYSQLIDGKEAVILSTPNSRSGRKGGQLVVGLVNKEDDSIDWKYHYDIDLPSYGYAYSAITELPNHHIGVLFEKYDSWSRNELHLSNVVQYIDLEINDLTK
  
Inhibitor
Name:
BDBM50466473
Synonyms:
CHEMBL4278803
Type:
Small organic molecule
Emp. Form.:
C32H50N10O15
Mol. Mass.:
814.7974
SMILES:
[H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(N)=O)nn1 |r,c:3|
Structure:
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