Ligand
Ligand Name:   AZ-006
Ligand Type:   non-polymer
Ligand ID:   COVPDB999 PubChem:   146170549
Synonym(s):  
  •   4-[[(2~{s})-1-azanylpropan-2-yl]amino]-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide
  • jt2
show 1 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   C[C@@H](CN)Nc1cc(CS)cc2sc(cc12)C(N)=N
Standard InChI:   InChI=1S/C13H18N4S2/c1-7(5-14)17-10-2-8(6-18)3-11-9(10)4-12(19-11)13(15)16/h2-4,7,17-18H,5-6,14H2,1H3,(H3,15,16)/t7-/m0/s1
Molecular Formula:   C13H18N4S2 Mol. Weight:   294.0973 logP:   2.37427
HBD:   5 HBA:   5
#Rotatable Bonds:   5 TPSA:   87.92

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
14-3-3 protein sigma P31947 (1433S_HUMAN) Homo sapiens (Human) 6R5L JT2
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14-3-3 protein sigma P31947 (1433S_HUMAN) Homo sapiens (Human) 6RJQ JT2
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