Ligand
Ligand Name:   (2-{[2-({1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}formamido)ethyl]disulfanyl}ethyl)trimethylazanium
Ligand Type:   non-polymer
Ligand ID:   COVPDB105 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   C[N+](C)(C)CCSSCCNC(=O)C1CCN(CC1)C(=O)COc2ccc(Cl)cc2Cl
Standard InChI:   InChI=1S/C21H31Cl2N3O3S2/c1-26(2,3)11-13-31-30-12-8-24-21(28)16-6-9-25(10-7-16)20(27)15-29-19-5-4-17(22)14-18(19)23/h4-5,14,16H,6-13,15H2,1-3H3/p+1
Molecular Formula:   C21H32Cl2N3O3S2+ Mol. Weight:   508.12567 logP:   3.8146
HBD:   1 HBA:   5
#Rotatable Bonds:   11 TPSA:   58.64

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) 4LV6 20H
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