Ligand
Ligand Name:   N-{1-[N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)glycyl]piperidin-4-yl}ethenesulfonamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB112 PubChem:   89864134
Synonym(s):  
  •   schembl15337772
DrugBank:   - ChEMBL:   -
Canonical SMILES:   n1snc(c12)c(Cl)cc(Cl)c2NCC(=O)N3CCC(CC3)NS(=O)(=O)C=C
Standard InChI:   InChI=1S/C15H17Cl2N5O3S2/c1-2-27(24,25)21-9-3-5-22(6-4-9)12(23)8-18-13-10(16)7-11(17)14-15(13)20-26-19-14/h2,7,9,18,21H,1,3-6,8H2
Molecular Formula:   C15H17Cl2N5O3S2 Mol. Weight:   449.01498 logP:   2.4639
HBD:   2 HBA:   7
#Rotatable Bonds:   6 TPSA:   104.29

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
GTPase KRas P01116 (RASK_HUMAN) Homo sapiens (Human) 4M1Y 21S
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