BioLiP

PDB

BioLiP

PDB CCD ID:

V6M

Number of entries in BioLiP:

Chemical formula:

C16 H13 N O2

InChI:

InChI=1S/C16H13NO2/c1-10-6-5-9-12-13(11-7-3-2-4-8-11)15(16(18)19)17-14(10)12/h2-9,17H,1H3,(H,18,19)

InChIKey:

OSOLISRTJWBBIW-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1cccc2c1[nH]c(C(O)=O)c2c3ccccc3
OpenEye OEToolkits 2.0.7	Cc1cccc2c1[nH]c(c2c3ccccc3)C(=O)O
ACDLabs 12.01	c2(c(c1ccccc1)c3c(n2)c(ccc3)C)C(O)=O

Name:

7-methyl-3-phenyl-1H-indole-2-carboxylic acid

ChEMBL:

CHEMBL2314511

ZINC:

ZINC000012650903

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).