BioLiP

PDB

BioLiP

PDB CCD ID:

BU4

Number of entries in BioLiP:

Chemical formula:

C4 H10 O2

InChI:

InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1

InChIKey:

PUPZLCDOIYMWBV-SCSAIBSYSA-N

SMILES:

Software	SMILES
CACTVS 3.352	C[C@@H](O)CCO
OpenEye OEToolkits 1.7.0	C[C@H](CCO)O
CACTVS 3.352	C[CH](O)CCO
OpenEye OEToolkits 1.7.0	CC(CCO)O

Name:

(3R)-butane-1,3-diol

ZINC:

ZINC000002041097

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).