Ligand
Ligand Name:   N-{1-[N-(4,5-dichloro-2-hydroxyphenyl)glycyl]piperidin-4-yl}ethenesulfonamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB107 PubChem:   89864135
Synonym(s):  
  •   chembl4289121
  • schembl15337774
show 1 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL4289121
Canonical SMILES:   Oc1cc(Cl)c(Cl)cc1NCC(=O)N2CCC(CC2)NS(=O)(=O)C=C
Standard InChI:   InChI=1S/C15H19Cl2N3O4S/c1-2-25(23,24)19-10-3-5-20(6-4-10)15(22)9-18-13-7-11(16)12(17)8-14(13)21/h2,7-8,10,18-19,21H,1,3-6,9H2
Molecular Formula:   C15H19Cl2N3O4S Mol. Weight:   407.04733 logP:   2.1648
HBD:   3 HBA:   5
#Rotatable Bonds:   6 TPSA:   98.74

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) 4LYF 21C
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