Ligand
Ligand Name:   2-chloro-1-(1H-indol-3-yl)ethanone
Ligand Type:   non-polymer
Ligand ID:   COVPDB168 PubChem:   152961
Synonym(s):  
  •   3cai
  • 28755-03-5
  • 3-chloroacetylindole
  • 2-chloro-1-(1h-indol-3-yl)-ethanone
  • ethanone, 2-chloro-1-(1h-indol-3-yl)-
  • 2-chloro-1-(1h-indol-3-yl)ethan-1-one
  • 2-chloro-1-indol-3-ylethan-1-one
  • ethanone,2-chloro-1-(1h-indol-3-yl)-
  • 3-chloroacetyl-1h-indole
  • 3-[(chloro)acetyl]-indole
  • 3-(chloroacetyl)-1h-indole
  • schembl3717752
  • dtxsid80182939
  • zinc546930
  • albb-007717
  • bbl007593
  • ethanone,2-chloro-1-(3-indolyl)-
  • mfcd00464796
  • sbb048999
  • stk325321
  • 3cai, >=95% (hplc)
  • ethanone, 2-chloro-1h-indol-1-yl-
  • akos000111868
  • ethanone, 2-chloro-1-(3-indolyl)-
  • 1-(1h-indol-3-yl)-2-chloroethanone
  • cs-3179
  • mcule-7375745296
  • ncgc00338893-01
  • 2-chloro-1-(1h-indol-3-yl)ethanone #
  • bs-13730
  • hy-16666
  • ab0220489
  • st45027472
  • en300-04394
  • w-7117
  • ab01331437-02
  • ab01331437-03
  • akt inhibitor xix, 3cai - cas 28755-03-5
  • q27453386
  • z56886524
show 39 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   c1cccc(c12)[nH]cc2C(=O)CCl
Standard InChI:   InChI=1S/C10H8ClNO/c11-5-10(13)8-6-12-9-4-2-1-3-7(8)9/h1-4,6,12H,5H2
Molecular Formula:   C10H8ClNO Mol. Weight:   193.02943 logP:   2.5894
HBD:   1 HBA:   1
#Rotatable Bonds:   2 TPSA:   32.86

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) 4PZY 2XR
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