BioLiP

PDB

BioLiP

PDB CCD ID:

8P3

Number of entries in BioLiP:

Chemical formula:

C16 H13 N O3

InChI:

InChI=1S/C16H13NO3/c18-15-9-11-5-2-4-8-14(11)17(15)10-12-6-1-3-7-13(12)16(19)20/h1-8H,9-10H2,(H,19,20)

InChIKey:

UJOFLRHFFVIBEB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1ccccc1CN2C(=O)Cc3ccccc23
OpenEye OEToolkits 1.7.6	c1ccc2c(c1)CC(=O)N2Cc3ccccc3C(=O)O
ACDLabs 12.01	O=C(O)c1ccccc1CN3c2ccccc2CC3=O

Name:

2-[(2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]benzoic acid

ZINC:

ZINC000035415315

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).