BioLiP

PDB

BioLiP

PDB CCD ID:

SBT

Number of entries in BioLiP:

Chemical formula:

C4 H10 O

InChI:

InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m0/s1

InChIKey:

BTANRVKWQNVYAZ-BYPYZUCNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCC(C)O
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CC[C@H](C)O
CACTVS 3.341	CC[CH](C)O
ACDLabs 10.04	OC(C)CC

Name:

2-BUTANOL

ZINC:

ZINC000001850884

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).