BioLiP

PDB

BioLiP

PDB CCD ID:

LW6

Number of entries in BioLiP:

Chemical formula:

C9 H7 N O

InChI:

InChI=1S/C9H7NO/c11-6-7-2-1-3-9-8(7)4-5-10-9/h1-6,10H

InChIKey:

JFDDFGLNZWNJTK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=Cc1cccc2[nH]ccc12
OpenEye OEToolkits 2.0.7	c1cc(c2cc[nH]c2c1)C=O
ACDLabs 12.01	O=Cc1cccc2[NH]ccc12

Name:

1H-indole-4-carbaldehyde

ZINC:

ZINC000001576624

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).