BioLiP

PDB

BioLiP

PDB CCD ID:

XWS

Number of entries in BioLiP:

Chemical formula:

C10 H14 N2 O2

InChI:

InChI=1S/C10H14N2O2/c13-9-6-7-12(10(14)11-9)8-4-2-1-3-5-8/h1-5,9-11,13-14H,6-7H2/t9-,10-/m1/s1

InChIKey:

OYDNXLZZNODBTK-NXEZZACHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[CH]1CCN([CH](O)N1)c2ccccc2
OpenEye OEToolkits 2.0.7	c1ccc(cc1)N2CCC(NC2O)O
CACTVS 3.385	O[C@@H]1CCN([C@H](O)N1)c2ccccc2
OpenEye OEToolkits 2.0.7	c1ccc(cc1)N2CC[C@H](N[C@H]2O)O
ACDLabs 12.01	N1(CCC(NC1O)O)c2ccccc2

Name:

(2R,4R)-1-phenylhexahydropyrimidine-2,4-diol

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).