BioLiP

PDB

BioLiP

PDB CCD ID:

IGL

Number of entries in BioLiP:

Chemical formula:

C11 H13 N O2

InChI:

InChI=1S/C11H13NO2/c12-10(11(13)14)9-5-7-3-1-2-4-8(7)6-9/h1-4,9-10H,5-6,12H2,(H,13,14)/t10-/m1/s1

InChIKey:

GUDHMDVRURNAHL-SNVBAGLBSA-N

SMILES:

Software	SMILES
CACTVS 3.341	N[CH](C1Cc2ccccc2C1)C(O)=O
CACTVS 3.341	N[C@H](C1Cc2ccccc2C1)C(O)=O
ACDLabs 10.04	O=C(O)C(N)C2Cc1ccccc1C2
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)CC(C2)C(C(=O)O)N
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)CC(C2)[C@H](C(=O)O)N

Name:

ALPHA-AMINO-2-INDANACETIC ACID

ChEMBL:

CHEMBL434785

DrugBank:

DB04061

ZINC:

ZINC000006117201

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).