BioLiP

PDB

BioLiP

PDB CCD ID:

DBS

Number of entries in BioLiP:

Chemical formula:

C10 H11 N O6

InChI:

InChI=1S/C10H11NO6/c12-4-6(10(16)17)11-9(15)5-2-1-3-7(13)8(5)14/h1-3,6,12-14H,4H2,(H,11,15)(H,16,17)/t6-/m0/s1

InChIKey:

VDTYHTVHFIIEIL-LURJTMIESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc(c(c(c1)O)O)C(=O)NC(CO)C(=O)O
OpenEye OEToolkits 1.5.0	c1cc(c(c(c1)O)O)C(=O)N[C@@H](CO)C(=O)O
CACTVS 3.341	OC[CH](NC(=O)c1cccc(O)c1O)C(O)=O
ACDLabs 10.04	O=C(O)C(NC(=O)c1cccc(O)c1O)CO
CACTVS 3.341	OC[C@H](NC(=O)c1cccc(O)c1O)C(O)=O

Name:

2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID;
2,3,-DIHYDROXYBENZOYLSERINE

DrugBank:

DB02710

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).