Ligand

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Ligand Name:   N-{5-[(3R)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide
HET ID:   Q94 PubChem:   121256446
DrugBank:   - ChEMBL:   CHEMBL3769558
Canonical SMILES:   CC(=O)Nc1nnc(s1)N[C@@H]1CCN(C1)c1nnc(s1)NC(=O)C
Standard InChI:   InChI=1S/C12H16N8O2S2/c1-6(21)13-9-16-17-11(23-9)15-8-3-4-20(5-8)12-19-18-10(24-12)14-7(2)22/h8H,3-5H2,1-2H3,(H,15,17)(H,13,16,21)(H,14,18,22)/t8-/m1/s1
Molecular Formula:   C12H16N8O2S2 Mol. Weight:   368.43784 Heavy Atoms:   24
Charge:   0 Is Chiral:   True logP:   1.2812
HBD:   3 HBA:   12 TPSA:   181.51
#Bonds:   27 #Rotatable Bonds:   7 Shape Complexity:   0.5
Stereocomplexity:   0.083333336
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 6UJM
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