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BioLiP

PDB CCD ID: BZS
Number of entries in BioLiP: 6
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:
SoftwareSMILES
CACTVS 3.341OC(=O)C[C@@H](Cc1ccccc1)C(O)=O
OpenEye OEToolkits 1.5.0c1ccc(cc1)C[C@H](CC(=O)O)C(=O)O
ACDLabs 10.04O=C(O)CC(C(=O)O)Cc1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC(CC(=O)O)C(=O)O
CACTVS 3.341OC(=O)C[CH](Cc1ccccc1)C(O)=O
Name:L-BENZYLSUCCINIC ACID
ChEMBL: CHEMBL259621
DrugBank: DB07506
ZINC: ZINC000000291743
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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