Ligand
Ligand Name:   N-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}ethenesulfonamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB111 PubChem:   71815887
Synonym(s):  
  •   schembl15337773
DrugBank:   - ChEMBL:   -
Canonical SMILES:   Clc1ccc(c(Cl)c1)OCC(=O)N2CCC(CC2)NS(=O)(=O)C=C
Standard InChI:   InChI=1S/C15H18Cl2N2O4S/c1-2-24(21,22)18-12-5-7-19(8-6-12)15(20)10-23-14-4-3-11(16)9-13(14)17/h2-4,9,12,18H,1,5-8,10H2
Molecular Formula:   C15H18Cl2N2O4S Mol. Weight:   392.03644 logP:   2.4261
HBD:   1 HBA:   4
#Rotatable Bonds:   6 TPSA:   75.71

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) 4M1T 21M
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