SEQ2FUN

BioLiP

PDB CCD ID: 5PV
Number of entries in BioLiP: 4
Chemical formula: C11 H14 O2
InChI: InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13)
InChIKey: BYHDDXPKOZIZRV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)CCCCC(=O)O
CACTVS 3.341OC(=O)CCCCc1ccccc1
ACDLabs 10.04O=C(O)CCCCc1ccccc1
Name:5-PHENYLVALERIC ACID
ChEMBL: CHEMBL443064
DrugBank: DB04051
ZINC: ZINC000001692494
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).