BioLiP

PDB

BioLiP

PDB CCD ID:

A1AT6

Number of entries in BioLiP:

Chemical formula:

C9 H9 N O2

InChI:

InChI=1S/C9H9NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-4,8,10H,5H2,(H,11,12)/t8-/m0/s1

InChIKey:

QNRXNRGSOJZINA-QMMMGPOBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)CC(N2)C(=O)O
CACTVS 3.385	OC(=O)[CH]1Cc2ccccc2N1
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)C[C@H](N2)C(=O)O
ACDLabs 12.01	O=C(O)C1Cc2ccccc2N1
CACTVS 3.385	OC(=O)[C@@H]1Cc2ccccc2N1

Name:

(2S)-2,3-dihydro-1H-indole-2-carboxylic acid

ChEMBL:

CHEMBL1423103

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).