Ligand
Ligand Name:   N-{1-[N-(2,4-dichlorophenyl)glycyl]piperidin-4-yl}ethenesulfonamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB110 PubChem:   89864091
Synonym(s):  
  •   schembl15337724
DrugBank:   - ChEMBL:   -
Canonical SMILES:   Clc1ccc(c(Cl)c1)NCC(=O)N2CCC(CC2)NS(=O)(=O)C=C
Standard InChI:   InChI=1S/C15H19Cl2N3O3S/c1-2-24(22,23)19-12-5-7-20(8-6-12)15(21)10-18-14-4-3-11(16)9-13(14)17/h2-4,9,12,18-19H,1,5-8,10H2
Molecular Formula:   C15H19Cl2N3O3S Mol. Weight:   391.05243 logP:   2.4592
HBD:   2 HBA:   4
#Rotatable Bonds:   6 TPSA:   78.51

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) 4M1S 21K
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