BDBM50344821 10-hydroxymethyl-5-imino-(2S)-12,13-dioxa-4,6-diazatetracyclo[7.3.1.13,11.03,8]tetradecane-1,2,7,10,14-pentaol::10-hydroxymethyl-5-imino-(2S)-12,13-dioxa-4,6-diazatetracyclo[7.3.1.13,11.03,8]tetradecane-1,2,7,10,14-pentaolCitrate::CHEMBL507974::tetrodotoxin

SMILES: NC1=N[C@H](O)[C@H]2[C@H]3O[C@]4(O)O[C@@H]([C@@H](O)[C@@]2(N1)[C@@H]4O)[C@]3(O)CO

InChI Key: InChIKey=CFMYXEVWODSLAX-UHFFFAOYSA-N

Data: 21 IC50  1 Kd

PDB links: 4 PDB IDs match this monomer.

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Substructure Similarity at least:  must be >=0.5 Exact match