BioLiP

PDB

BioLiP

PDB CCD ID:

A1ADZ

Number of entries in BioLiP:

Chemical formula:

C10 H13 N O3

InChI:

InChI=1S/C10H13NO3/c1-14-9-5-3-2-4-7(9)6-8(11)10(12)13/h2-5,8H,6,11H2,1H3,(H,12,13)/t8-/m0/s1

InChIKey:

SEUPQWHWULSGJC-QMMMGPOBSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccccc1C[C@H](N)C(O)=O
ACDLabs 12.01	COc1ccccc1CC(N)C(=O)O
CACTVS 3.385	COc1ccccc1C[CH](N)C(O)=O
OpenEye OEToolkits 2.0.7	COc1ccccc1CC(C(=O)O)N
OpenEye OEToolkits 2.0.7	COc1ccccc1C[C@@H](C(=O)O)N

Name:

(2S)-2-amino-3-(2-methoxyphenyl)propan-1-ol

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).