BioLiP

PDB

BioLiP

PDB CCD ID:

RE0

Number of entries in BioLiP:

Chemical formula:

C11 H12 N2 O4

InChI:

InChI=1S/C11H12N2O4/c12-7(9(14)15)5-11(17)6-3-1-2-4-8(6)13-10(11)16/h1-4,7,17H,5,12H2,(H,13,16)(H,14,15)/t7-,11+/m0/s1

InChIKey:

BZRCOYDQHJWPQZ-WRWORJQWSA-N

SMILES:

Software	SMILES
CACTVS 3.370	N[CH](C[C]1(O)C(=O)Nc2ccccc12)C(O)=O
OpenEye OEToolkits 1.7.0	c1ccc2c(c1)[C@@](C(=O)N2)(C[C@@H](C(=O)O)N)O
OpenEye OEToolkits 1.7.0	c1ccc2c(c1)C(C(=O)N2)(CC(C(=O)O)N)O
CACTVS 3.370	N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(O)=O
ACDLabs 12.01	O=C(O)C(N)CC2(O)c1ccccc1NC2=O

Name:

3-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine

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).