Ligand |
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Ligand Name: N-{1-[N-(2,4-dichlorophenyl)glycyl]piperidin-4-yl}ethenesulfonamide | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB110 | PubChem: 89864091 | |
Synonym(s):
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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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