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-QOZOJKKESA-N

Data  21 IC50  1 Kd

PDB links: 4 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50344821   

TargetSodium channel protein type 1/2/3/4/5/8/9/10/11 subunit alpha(Rattus norvegicus)
Tohoku University

Curated by ChEMBL
LigandPNGBDBM50344821(10-hydroxymethyl-5-imino-(2S)-12,13-dioxa-4,6-diaz...)
Affinity DataKd:  1.80nMAssay Description:Displacement of [3H]saxitoxin from NaV in rat brain membranesMore data for this Ligand-Target Pair
TargetSodium channel protein type 9 subunit alpha(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50344821(10-hydroxymethyl-5-imino-(2S)-12,13-dioxa-4,6-diaz...)
Affinity DataIC50: <30nMAssay Description:Inhibition of voltage-gated Na channel 1.7 (unknown origin)More data for this Ligand-Target Pair
TargetSodium channel protein type 9 subunit alpha(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50344821(10-hydroxymethyl-5-imino-(2S)-12,13-dioxa-4,6-diaz...)
Affinity DataIC50:  6nMAssay Description:Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assayMore data for this Ligand-Target Pair