BioLiP

PDB

BioLiP

PDB CCD ID:

EY3

Number of entries in BioLiP:

Chemical formula:

C11 H13 N O

InChI:

InChI=1S/C11H13NO/c1-8(2)13-10-3-4-11-9(7-10)5-6-12-11/h3-8,12H,1-2H3

InChIKey:

VKHXUUUFVWIWHH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)Oc1ccc2[nH]ccc2c1
OpenEye OEToolkits 2.0.7	CC(C)Oc1ccc2c(c1)cc[nH]2

Name:

5-propan-2-yloxy-1H-indole

ZINC:

ZINC000039089918

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).