Ligand |
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Ligand Name: [2-(methylamino)-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB1051 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: CNC(=O)COC(=O)/C=C/CNC(=O)c(c(=O)[nH]1)cc(c12)CCCC2 | ||
Standard InChI: InChI=1S/C17H21N3O5/c1-18-14(21)10-25-15(22)7-4-8-19-16(23)12-9-11-5-2-3-6-13(11)20-17(12)24/h4,7,9H,2-3,5-6,8,10H2,1H3,(H,18,21)(H,19,23)(H,20,24)/b7-4+ | ||
Molecular Formula: C17H21N3O5 | Mol. Weight: 347.14813 | logP: -0.1711 |
HBD: 3 | HBA: 5 | |
#Rotatable Bonds: 6 | TPSA: 117.36 |
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) | 6SC8 | L6E |
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