BioLiP

PDB

BioLiP

PDB CCD ID:

BZS

Number of entries in BioLiP:

Chemical formula:

C11 H12 O4

InChI:

InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)/t9-/m1/s1

InChIKey:

GTOFKXZQQDSVFH-SECBINFHSA-N

SMILES:

Software	SMILES
CACTVS 3.341	OC(=O)C[C@@H](Cc1ccccc1)C(O)=O
OpenEye OEToolkits 1.5.0	c1ccc(cc1)C[C@H](CC(=O)O)C(=O)O
ACDLabs 10.04	O=C(O)CC(C(=O)O)Cc1ccccc1
OpenEye OEToolkits 1.5.0	c1ccc(cc1)CC(CC(=O)O)C(=O)O
CACTVS 3.341	OC(=O)C[CH](Cc1ccccc1)C(O)=O

Name:

L-BENZYLSUCCINIC ACID

ChEMBL:

CHEMBL259621

DrugBank:

DB07506

ZINC:

ZINC000000291743

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).