Ligand
Ligand Name:   DC-Rhoin04
Ligand Type:   non-polymer
Ligand ID:   COVPDB417 PubChem:   1738242
Synonym(s):  
  •   schembl8300328
  • chembl2153773
  • zinc2077986
  • mcule-8354728180
show 3 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL2153773
Canonical SMILES:   C=CCOC(=O)C1=CS(=O)(=O)c(c12)cccc2
Standard InChI:   InChI=1S/C12H10O4S/c1-2-7-16-12(13)10-8-17(14,15)11-6-4-3-5-9(10)11/h2-6,8H,1,7H2
Molecular Formula:   C12H10O4S Mol. Weight:   250.02998 logP:   1.544
HBD:   0 HBA:   4
#Rotatable Bonds:   3 TPSA:   60.44

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Transforming protein RhoA P61586 (RHOA_HUMAN) Homo sapiens (Human) 6KX3 8ZO
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