BioLiP

PDB

BioLiP

PDB CCD ID:

ZTC

Number of entries in BioLiP:

Chemical formula:

C10 H13 N O4

InChI:

InChI=1S/C10H13NO4/c1-14-7-3-6(9(11)10(12)13)4-8(5-7)15-2/h3-5,9H,11H2,1-2H3,(H,12,13)/t9-/m0/s1

InChIKey:

PUDUIVFPKSOBOR-VIFPVBQESA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1cc(OC)cc(c1)[CH](N)C(O)=O
ACDLabs 12.01	COc1cc(cc(OC)c1)C(N)C(=O)O
OpenEye OEToolkits 2.0.7	COc1cc(cc(c1)OC)C(C(=O)O)N
OpenEye OEToolkits 2.0.7	COc1cc(cc(c1)OC)[C@@H](C(=O)O)N
CACTVS 3.385	COc1cc(OC)cc(c1)[C@H](N)C(O)=O

Name:

(2S)-amino(3,5-dimethoxyphenyl)acetic acid

ZINC:

ZINC000004202366

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).