Ligand

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Ligand Name:   5-{4-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]piperidin-1-yl}-1,3,4-thiadiazol-2-amine
HET ID:   Q9S PubChem:   121256372
DrugBank:   - ChEMBL:   -
Canonical SMILES:   Nc1nnc(s1)OC1CCN(CC1)c1nnc(s1)N
Standard InChI:   InChI=1S/C9H13N7OS2/c10-6-12-14-8(18-6)16-3-1-5(2-4-16)17-9-15-13-7(11)19-9/h5H,1-4H2,(H2,10,12)(H2,11,13)
Molecular Formula:   C9H13N7OS2 Mol. Weight:   299.37582 Heavy Atoms:   19
Charge:   0 Is Chiral:   False logP:   1.8292
HBD:   2 HBA:   10 TPSA:   172.55
#Bonds:   21 #Rotatable Bonds:   3 Shape Complexity:   0.5555556
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Glutaminase kidney isoform, mitochondrial O94925 (GLSK_HUMAN) Homo sapiens 6UK6
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