BioLiP

PDB

BioLiP

PDB CCD ID:

A1IGR

Number of entries in BioLiP:

Chemical formula:

C9 H8 N2 O

InChI:

InChI=1S/C9H8N2O/c10-9(12)7-5-11-8-4-2-1-3-6(7)8/h1-5,11H,(H2,10,12)

InChIKey:

LSGKMZLPZFPAIN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC(=O)c1c[nH]c2ccccc12
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)c(c[nH]2)C(=O)N

Name:

1H-indole-3-carboxamide

ChEMBL:

CHEMBL379099

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).