BioLiP

PDB

BioLiP

PDB CCD ID:

5M1

Number of entries in BioLiP:

Chemical formula:

C6 H7 N O2

InChI:

InChI=1S/C6H7NO2/c1-4-2-3-5(7-4)6(8)9/h2-3,7H,1H3,(H,8,9)

InChIKey:

UFYABCWJPZTWHA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1[nH]c(cc1)C(O)=O
ACDLabs 12.01	C(c1ccc(C)n1)(=O)O
OpenEye OEToolkits 1.7.6	Cc1ccc([nH]1)C(=O)O

Name:

5-methyl-1H-pyrrole-2-carboxylic acid

ZINC:

ZINC000026506991

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).