BioLiP

PDB

BioLiP

PDB CCD ID:

A1CE5

Number of entries in BioLiP:

Chemical formula:

C9 H8 N2 O

InChI:

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

InChIKey:

VFHUJFBEFDVZPJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	c1ccc2c(c1)cc([nH]2)C(=O)N
CACTVS 3.385	NC(=O)c1[nH]c2ccccc2c1
ACDLabs 14.52	NC(=O)c1cc2ccccc2[NH]1

Name:

1H-indole-2-carboxamide

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).