Ligand |
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Ligand Name: 2C07 | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB421 | PubChem: 135126250 | |
Synonym(s):
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DrugBank: - | ChEMBL: - | |
Canonical SMILES: COc1ccc(cc1)-n1ncc(C(=O)NCCCSSCCN(C)C)c1C(F)(F)F | ||
Standard InChI: InChI=1S/C19H25F3N4O2S2/c1-25(2)10-12-30-29-11-4-9-23-18(27)16-13-24-26(17(16)19(20,21)22)14-5-7-15(28-3)8-6-14/h5-8,13H,4,9-12H2,1-3H3,(H,23,27) | ||
Molecular Formula: C19H25F3N4O2S2 | Mol. Weight: 462.13712 | logP: 3.9626 |
HBD: 1 | HBA: 7 | |
#Rotatable Bonds: 11 | TPSA: 59.39 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
GTPase HRas | P01112 (RASH_HUMAN) | Homo sapiens (Human) | 5VBE | 92V |
- |
- |
SHOW |
GTPase KRas | P01116 (RASK_HUMAN) | Homo sapiens (Human) | 5VBM | 92V |
- |
- |
SHOW |
GTPase HRas | P01112 (RASH_HUMAN) | Homo sapiens (Human) | 5VBZ | 92V |
- |
- |
SHOW |