SEQ2FUN

BioLiP

PDB CCD ID: CLT
Number of entries in BioLiP: 9
Chemical formula: C10 H12 O2
InChI: InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)
InChIKey: OBKXEAXTFZPCHS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)CCCc1ccccc1
ACDLabs 10.04O=C(O)CCCc1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)CCCC(=O)O
Name:4-PHENYL-BUTANOIC ACID;
GAMMA-PHENYL-BUTYRIC ACID
ChEMBL: CHEMBL1469
DrugBank: DB06819
ZINC: ZINC000000056568
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).