BioLiP

PDB

BioLiP

PDB CCD ID:

MP4

Number of entries in BioLiP:

Chemical formula:

C9 H11 N O4

InChI:

InChI=1S/C9H11NO4/c1-4-6(11)2-5(3-7(4)12)8(10)9(13)14/h2-3,8,11-12H,10H2,1H3,(H,13,14)/t8-/m0/s1

InChIKey:

SWLKZHMYZFDCGZ-QMMMGPOBSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)C(c1cc(O)c(c(O)c1)C)N
OpenEye OEToolkits 1.7.6	Cc1c(cc(cc1O)[C@@H](C(=O)O)N)O
CACTVS 3.370	Cc1c(O)cc(cc1O)[CH](N)C(O)=O
OpenEye OEToolkits 1.7.6	Cc1c(cc(cc1O)C(C(=O)O)N)O
CACTVS 3.370	Cc1c(O)cc(cc1O)[C@H](N)C(O)=O

Name:

(2S)-amino(3,5-dihydroxy-4-methylphenyl)ethanoic 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).