Ligand |
||
Ligand Name: HOIPIN8 | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB676 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: Cn1cc(cn1)-c1ccc(C(O)=O)c(\C=C\C(=O)c2c(F)cc(cc2F)-c2cn[nH]c2)c1 | ||
Standard InChI: InChI=1S/C23H16F2N4O3/c1-29-12-17(11-28-29)13-2-4-18(23(31)32)14(6-13)3-5-21(30)22-19(24)7-15(8-20(22)25)16-9-26-27-10-16/h2-12H,1H3,(H,26,27)(H,31,32)/b5-3+ | ||
Molecular Formula: C23H16F2N4O3 | Mol. Weight: 434.11905 | logP: 4.3497 |
HBD: 2 | HBA: 5 | |
#Rotatable Bonds: 6 | TPSA: 100.87 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
E3 ubiquitin-protein ligase RNF31 | Q96EP0 (RNF31_HUMAN) | Homo sapiens (Human) | 6SC9 | L68 |
- |
- |
SHOW |
E3 ubiquitin-protein ligase RNF31 | Q96EP0 (RNF31_HUMAN) | Homo sapiens (Human) | 6KC6 | D60 |
- |
- |
SHOW |