BioLiP

PDB

BioLiP

PDB CCD ID:

V3E

Number of entries in BioLiP:

Chemical formula:

C10 H13 N O3

InChI:

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

InChIKey:

RFUHEJIZWPQATB-QMMMGPOBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COC(=O)[C@H](Cc1ccccc1O)N
CACTVS 3.385	COC(=O)[CH](N)Cc1ccccc1O
OpenEye OEToolkits 2.0.7	COC(=O)C(Cc1ccccc1O)N
CACTVS 3.385	COC(=O)[C@@H](N)Cc1ccccc1O

Name:

(2~{S})-2-azanyl-3-(2-hydroxyphenyl)propanoic acid

ZINC:

ZINC000013354200

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).