Ligand
Ligand Name:   2C07
Ligand Type:   non-polymer
Ligand ID:   COVPDB421 PubChem:   135126250
Synonym(s):  
  •   2230185-95-0 (free base)
  • n-(3-((2-(dimethylamino)ethyl)disulfaneyl)propyl)-1-(4-methoxyphenyl)-5-(trifluoromethyl)-1h-pyrazole-4-carboxamide
  • schembl20271598
show 2 synonym(s)
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
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SHOW
GTPase KRas P01116 (RASK_HUMAN) Homo sapiens (Human) 5VBM 92V
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SHOW
GTPase HRas P01112 (RASH_HUMAN) Homo sapiens (Human) 5VBZ 92V
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SHOW