BioLiP

PDB

BioLiP

PDB CCD ID:

OIA

Number of entries in BioLiP:

Chemical formula:

C10 H9 N O3

InChI:

InChI=1S/C10H9NO3/c12-9(13)5-7-6-3-1-2-4-8(6)11-10(7)14/h1-4,7H,5H2,(H,11,14)(H,12,13)/t7-/m0/s1

InChIKey:

ILGMGHZPXRDCCS-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	c1ccc2c(c1)[C@@H](C(=O)N2)CC(=O)O
OpenEye OEToolkits 2.0.4	c1ccc2c(c1)C(C(=O)N2)CC(=O)O
CACTVS 3.385	OC(=O)C[C@@H]1C(=O)Nc2ccccc12
ACDLabs 12.01	OC(=O)CC2c1ccccc1NC2=O
CACTVS 3.385	OC(=O)C[CH]1C(=O)Nc2ccccc12

Name:

[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]acetic acid

ZINC:

ZINC000090225589

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).