BioLiP

PDB

BioLiP

PDB CCD ID:

X6P

Number of entries in BioLiP:

Chemical formula:

C12 H11 N O2

InChI:

InChI=1S/C12H11NO2/c1-13-7-3-6-11(13)9-4-2-5-10(8-9)12(14)15/h2-8H,1H3,(H,14,15)

InChIKey:

UIRGFNLTEWMULM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cn1cccc1c2cccc(c2)C(=O)O
CACTVS 3.385	Cn1cccc1c2cccc(c2)C(O)=O

Name:

3-(1-methylpyrrol-2-yl)benzoic acid

ChEMBL:

CHEMBL4162292

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).