Ligand Download |
||
Ligand Name: 3-azanyl-4-(pyridin-3-ylmethylamino)benzoic acid | ||
HET ID: S1J | PubChem: 808765 | |
DrugBank: - | ChEMBL: CHEMBL242279 | |
Canonical SMILES: Nc1cc(ccc1NCc1cccnc1)C(=O)O | ||
Standard InChI: InChI=1S/C13H13N3O2/c14-11-6-10(13(17)18)3-4-12(11)16-8-9-2-1-5-15-7-9/h1-7,16H,8,14H2,(H,17,18) | ||
Molecular Formula: C13H13N3O2 | Mol. Weight: 243.26122 | Heavy Atoms: 18 |
Charge: 0 | Is Chiral: False | logP: 2.6283 |
HBD: 3 | HBA: 5 | TPSA: 88.24 |
#Bonds: 19 | #Rotatable Bonds: 4 | Shape Complexity: 0.07692308 |
Stereocomplexity: 0.0 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
Uridine diphosphate glucose pyrophosphatase NUDT22 | Q9BRQ3 (NUD22_HUMAN) | Homo sapiens | 5R5D |
- |
- |
SHOW |