BioLiP

PDB

BioLiP

PDB CCD ID:

IOH

Number of entries in BioLiP:

Chemical formula:

C3 H8 O

InChI:

InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3

InChIKey:

KFZMGEQAYNKOFK-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 11.02	OC(C)C
CACTVS 3.352 OpenEye OEToolkits 1.7.0	CC(C)O

Name:

2-PROPANOL, ISOPROPANOL

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).