BioLiP

PDB

BioLiP

PDB CCD ID:

A1JE7

Number of entries in BioLiP:

Chemical formula:

C10 H11 N5 O2

InChI:

InChI=1S/C10H11N5O2/c16-6-3-7(13-4-6)10-14-9(15-17-10)8-5-11-1-2-12-8/h1-2,5-7,13,16H,3-4H2/t6-,7+/m1/s1

InChIKey:

PNMROIVKNKNEGP-RQJHMYQMSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cnc(cn1)c2nc(on2)C3CC(CN3)O
CACTVS 3.385	O[C@H]1CN[C@@H](C1)c2onc(n2)c3cnccn3
OpenEye OEToolkits 2.0.7	c1cnc(cn1)c2nc(on2)[C@@H]3C[C@H](CN3)O
CACTVS 3.385	O[CH]1CN[CH](C1)c2onc(n2)c3cnccn3

Name:

(3~{R},5~{S})-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol

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).