Ligand

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Ligand Name:   2-{1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-yl}thieno[3,2-b]pyridine-7-carboxylic acid
HET ID:   H61 PubChem:   133053887
DrugBank:   - ChEMBL:   -
Canonical SMILES:   OC(=O)c1ccnc2c1sc(c2)c1nc2c(n1CCN1CCCCC1)cccc2
Standard InChI:   InChI=1S/C22H22N4O2S/c27-22(28)15-8-9-23-17-14-19(29-20(15)17)21-24-16-6-2-3-7-18(16)26(21)13-12-25-10-4-1-5-11-25/h2-3,6-9,14H,1,4-5,10-13H2,(H,27,28)
Molecular Formula:   C22H22N4O2S Mol. Weight:   406.50067 Heavy Atoms:   29
Charge:   0 Is Chiral:   False logP:   4.435
HBD:   1 HBA:   7 TPSA:   99.49
#Bonds:   33 #Rotatable Bonds:   5 Shape Complexity:   0.3181818
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Lysine-specific demethylase 5A P29375 (KDM5A_HUMAN) Homo sapiens 6DQF
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