BioLiP

PDB

BioLiP

PDB CCD ID:

FSL

Number of entries in BioLiP:

Chemical formula:

C10 H10 O4

InChI:

InChI=1S/C10H10O4/c11-9(12)6-8(10(13)14)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H,13,14)/t8-/m1/s1

InChIKey:

LVFFZQQWIZURIO-MRVPVSSYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1ccc(cc1)C(CC(=O)O)C(=O)O
CACTVS 3.385	OC(=O)C[CH](C(O)=O)c1ccccc1
CACTVS 3.385	OC(=O)C[C@@H](C(O)=O)c1ccccc1
ACDLabs 12.01	O=C(O)C(c1ccccc1)CC(=O)O

Name:

(2R)-2-phenylbutanedioic acid

ZINC:

ZINC000000155877

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).