BioLiP

PDB

BioLiP

PDB CCD ID:

V5F

Number of entries in BioLiP:

Chemical formula:

C9 H11 N O3

InChI:

InChI=1S/C9H11NO3/c1-6(9(11)12)13-8-5-3-2-4-7(8)10/h2-6H,10H2,1H3,(H,11,12)/t6-/m1/s1

InChIKey:

XHIKWHMMOQQMRR-ZCFIWIBFSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C[C@H](C(=O)O)Oc1ccccc1N
CACTVS 3.385	C[CH](Oc1ccccc1N)C(O)=O
CACTVS 3.385	C[C@@H](Oc1ccccc1N)C(O)=O
OpenEye OEToolkits 2.0.7	CC(C(=O)O)Oc1ccccc1N

Name:

(2R)-2-(2-azanylphenoxy)propanoic acid

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).