SEQ2FUN

BioLiP

PDB CCD ID: IVA
Number of entries in BioLiP: 5
Chemical formula: C5 H10 O2
InChI: InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChIKey: GWYFCOCPABKNJV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(C)CC(=O)O
CACTVS 3.370CC(C)CC(O)=O
ACDLabs 12.01O=C(O)CC(C)C
Name:ISOVALERIC ACID
ChEMBL: CHEMBL568737
DrugBank: DB03750
ZINC: ZINC000000388188
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).