Ligand
Ligand Name:   RR6
Ligand Type:   non-polymer
Ligand ID:   COVPDB1288 PubChem:   54754611
Synonym(s):  
  •   rr-6
  • 1351758-37-6
  • ribozinoindole 1
  • rbin 1
  • rr 6
  • bcp24767
  • zinc72318677
  • cs-5998
  • hy-18780
show 8 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)Cc1ccccc1
Standard InChI:   InChI=1S/C16H23NO4/c1-16(2,11-18)14(20)15(21)17-9-8-13(19)10-12-6-4-3-5-7-12/h3-7,14,18,20H,8-11H2,1-2H3,(H,17,21)/t14-/m0/s1
Molecular Formula:   C16H23NO4 Mol. Weight:   293.16272 logP:   0.6839
HBD:   3 HBA:   4
#Rotatable Bonds:   8 TPSA:   86.63

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Pantetheinase O95497 (VNN1_HUMAN) Homo sapiens (Human) 4CYG RRV
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