BioLiP

PDB

BioLiP

PDB CCD ID:

3IL

Number of entries in BioLiP:

Chemical formula:

C11 H11 N O3

InChI:

InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)/t10-/m0/s1

InChIKey:

XGILAAMKEQUXLS-JTQLQIEISA-N

SMILES:

Software	SMILES
CACTVS 3.341	O[CH](Cc1c[nH]c2ccccc12)C(O)=O
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)O
CACTVS 3.341	O[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)O
ACDLabs 10.04	O=C(O)C(O)Cc2c1ccccc1nc2

Name:

3-(INDOL-3-YL) LACTATE;
(2S)-2-HYDROXY-3-(1H-INDOL-3-YL)PROPANOIC ACID

DrugBank:

DB07060

ZINC:

ZINC000000039098

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).