Ligand

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Ligand Name:   5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indole
HET ID:   00G PubChem:   44129621
DrugBank:   DB06828 ChEMBL:   CHEMBL1229506
Canonical SMILES:   c1[nH]c2c(c1)cc(cc2)OCCn1cccc1
Standard InChI:   InChI=1S/C14H14N2O/c1-2-8-16(7-1)9-10-17-13-3-4-14-12(11-13)5-6-15-14/h1-8,11,15H,9-10H2
Molecular Formula:   C14H14N2O Mol. Weight:   226.27376 Heavy Atoms:   17
Charge:   0 Is Chiral:   False logP:   3.0484
HBD:   1 HBA:   2 TPSA:   29.95
#Bonds:   20 #Rotatable Bonds:   4 Shape Complexity:   0.14285715
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Leukotriene A-4 hydrolase P09960 (LKHA4_HUMAN) Homo sapiens 3FUJ IC50 : 234000.0 nM PDBBind SHOW
Leukotriene A-4 hydrolase P09960 (LKHA4_HUMAN) Homo sapiens 3FUJ IC50 : 234000.0 nM Binding MOAD SHOW