Ligand Download |
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Ligand Name: 2-[(furan-2-ylmethylamino)methyl]pyridine-4-carboxylic acid | ||
HET ID: 5V0 | PubChem: 73670714 | |
DrugBank: - | ChEMBL: CHEMBL3775994 | |
Canonical SMILES: OC(=O)c1ccnc(c1)CNCc1ccco1 | ||
Standard InChI: InChI=1S/C12H12N2O3/c15-12(16)9-3-4-14-10(6-9)7-13-8-11-2-1-5-17-11/h1-6,13H,7-8H2,(H,15,16) | ||
Molecular Formula: C12H12N2O3 | Mol. Weight: 232.23528 | Heavy Atoms: 17 |
Charge: 0 | Is Chiral: False | logP: 2.0535 |
HBD: 2 | HBA: 5 | TPSA: 75.36 |
#Bonds: 18 | #Rotatable Bonds: 5 | Shape Complexity: 0.16666667 |
Stereocomplexity: 0.0 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
Lysine-specific demethylase 4D | Q6B0I6 (KDM4D_HUMAN) | Homo sapiens | 5F5A |
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