Ligand

Download

Ligand Name:   HISTIDINE
HET ID:   HIS PubChem:   5288559, 5460943, 86580368
DrugBank:   - ChEMBL:   CHEMBL1233334
Canonical SMILES:   N[C@H](C(=O)O)Cc1c[nH]c[nH+]1
Standard InChI:   InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m0/s1
Molecular Formula:   C6H10N3O2+ Mol. Weight:   156.1625 Heavy Atoms:   11
Charge:   1 Is Chiral:   True logP:   -0.5165
HBD:   4 HBA:   3 TPSA:   93.25
#Bonds:   14 #Rotatable Bonds:   3 Shape Complexity:   0.33333334
Stereocomplexity:   0.16666667
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Lysine/arginine/ornithine-binding periplasmic protein P02911 (ARGT_SALTY) almonella typhimurium 1LAG Kd : 500.0 nM PDBBind SHOW
Lysine/arginine/ornithine-binding periplasmic protein P02911 (ARGT_SALTY) almonella typhimurium 1LAG Kd : 500.0 nM Binding MOAD SHOW
ABC transporter substrate-binding protein A0A0H2UKY8 (A0A0H2UKY8_STREE) Streptococcus pneumoniae 4OHN
-
-
SHOW
Lysine/arginine/ornithine-binding periplasmic protein P02911 (ARGT_SALTY) almonella typhimurium 6MKW
-
-
SHOW
Lysine/arginine/ornithine-binding periplasmic protein P02911 (ARGT_SALTY) almonella typhimurium 6MLI
-
-
SHOW