BioLiP

PDB

BioLiP

PDB CCD ID:

LBI

Number of entries in BioLiP:

Chemical formula:

C10 H9 N O2

InChI:

InChI=1S/C10H9NO2/c1-13-10-4-2-3-9-8(10)5-7(6-12)11-9/h2-6,11H,1H3

InChIKey:

BMUMJEKBMVREKT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1cccc2c1cc([nH]2)C=O
ACDLabs 12.01	COc1cccc2[NH]c(cc21)C=O
CACTVS 3.385	COc1cccc2[nH]c(C=O)cc12

Name:

4-methoxy-1H-indole-2-carbaldehyde

ZINC:

ZINC000039168460

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).