BioLiP

PDB

BioLiP

PDB CCD ID:

4Z9

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-/m1/s1

InChIKey:

XGILAAMKEQUXLS-SNVBAGLBSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[CH](Cc1c[nH]c2ccccc12)C(O)=O
OpenEye OEToolkits 1.9.2	c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)O)O
ACDLabs 12.01	c12c(c(CC(C(=O)O)O)cn1)cccc2
OpenEye OEToolkits 1.9.2	c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)O
CACTVS 3.385	O[C@H](Cc1c[nH]c2ccccc12)C(O)=O

Name:

(2R)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid

ZINC:

ZINC000000039099

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).