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
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-
SHOW
E3 ubiquitin-protein ligase RNF31 Q96EP0 (RNF31_HUMAN) Homo sapiens (Human) 6KC6 D60
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-
SHOW