SEQ2FUN

BioLiP

PDB CCD ID: IPA
Number of entries in BioLiP: 14
Chemical formula: C3 H8 O
InChI: InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
InChIKey: KFZMGEQAYNKOFK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 11.02OC(C)C
CACTVS 3.352
OpenEye OEToolkits 1.7.0		CC(C)O
Name:ISOPROPYL ALCOHOL;
2-PROPANOL
ChEMBL: CHEMBL582
DrugBank: DB02325
ZINC: ZINC000000901159
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).