Ligand
Ligand Name:   1-[(1S)-1-(chloromethyl)-5-hydroxy-1H,2H,3H-benzo[e]indol-3-yl]hexan-1-one
Ligand Type:   non-polymer
Ligand ID:   COVPDB1017 PubChem:   71769973
Synonym(s):  
  •   1446715-27-0
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CCCCCC(=O)N1C[C@@H](CCl)c(c12)c3c(c(c2)O)cccc3
Standard InChI:   InChI=1S/C19H22ClNO2/c1-2-3-4-9-18(23)21-12-13(11-20)19-15-8-6-5-7-14(15)17(22)10-16(19)21/h5-8,10,13,22H,2-4,9,11-12H2,1H3/t13-/m1/s1
Molecular Formula:   C19H22ClNO2 Mol. Weight:   331.1339 logP:   4.7947
HBD:   1 HBA:   2
#Rotatable Bonds:   5 TPSA:   40.54

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Retinal dehydrogenase 1 P00352 (AL1A1_HUMAN) Homo sapiens (Human) 5AC2 K9P
-
-
SHOW
Retinal dehydrogenase 1 P51977 (AL1A1_SHEEP) Ovis aries (Sheep) 5AC1 K9P
-
-
SHOW
Retinal dehydrogenase 1 P51977 (AL1A1_SHEEP) Ovis aries (Sheep) 5AC0 K9P
-
-
SHOW