BioLiP

PDB

BioLiP

PDB CCD ID:

A1IGM

Number of entries in BioLiP:

Chemical formula:

C6 H8 N2 O

InChI:

InChI=1S/C6H8N2O/c1-8-4-2-3-5(8)6(7)9/h2-4H,1H3,(H2,7,9)

InChIKey:

FLJBIGAZJFDVTC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cn1cccc1C(=O)N
CACTVS 3.385	Cn1cccc1C(N)=O

Name:

1-methylpyrrole-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).