BioLiP

PDB

BioLiP

PDB CCD ID:

DD4

Number of entries in BioLiP:

Chemical formula:

C13 H14 F N3 O2

InChI:

InChI=1S/C13H14FN3O2/c1-7-2-3-8(4-10(7)14)12-16-13(19-17-12)11-5-9(18)6-15-11/h2-4,9,11,15,18H,5-6H2,1H3/t9-,11-/m1/s1

InChIKey:

UGTHZDBHYCLBLY-MWLCHTKSSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cc1ccc(cc1F)c2nc(on2)[C@H]3C[C@H](CN3)O
CACTVS 3.385	Cc1ccc(cc1F)c2noc(n2)[CH]3C[CH](O)CN3
ACDLabs 12.01	c1(cc(F)c(C)cc1)c2noc(n2)C3NCC(C3)O
OpenEye OEToolkits 2.0.6	Cc1ccc(cc1F)c2nc(on2)C3CC(CN3)O
CACTVS 3.385	Cc1ccc(cc1F)c2noc(n2)[C@H]3C[C@@H](O)CN3

Name:

(3R,5R)-5-[3-(3-fluoro-4-methylphenyl)-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).