Ligand
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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