Ligand

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Ligand Name:   2-[(2-nitrophenyl)sulfanyl]acetohydrazide
HET ID:   J4J PubChem:   2807216
DrugBank:   - ChEMBL:   CHEMBL3727969
Canonical SMILES:   NNC(=O)CSc1ccccc1[N+](=O)[O-]
Standard InChI:   InChI=1S/C8H9N3O3S/c9-10-8(12)5-15-7-4-2-1-3-6(7)11(13)14/h1-4H,5,9H2,(H,10,12)
Molecular Formula:   C8H9N3O3S Mol. Weight:   227.24036 Heavy Atoms:   15
Charge:   0 Is Chiral:   False logP:   2.2912
HBD:   2 HBA:   4 TPSA:   126.24
#Bonds:   15 #Rotatable Bonds:   5 Shape Complexity:   0.125
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Adenosylmethionine-8-amino-7-oxononanoate aminotransferase P12995 (BIOA_ECOLI) Escherichia coli 6ED7
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