BioLiP

PDB

BioLiP

PDB CCD ID:

W5H

Number of entries in BioLiP:

Chemical formula:

C7 H9 N O2

InChI:

InChI=1S/C7H9NO2/c1-8-4-2-3-6(8)5-7(9)10/h2-4H,5H2,1H3,(H,9,10)

InChIKey:

SYYOUHJJSOLSJD-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cn1cccc1CC(=O)O
CACTVS 3.385	Cn1cccc1CC(O)=O
ACDLabs 12.01	OC(=O)Cc1cccn1C

Name:

(1-methyl-1H-pyrrol-2-yl)acetic acid

ZINC:

ZINC000005783630

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).