BioLiP

PDB

BioLiP

PDB CCD ID:

FYF

Number of entries in BioLiP:

Chemical formula:

C15 H15 N3 O2

InChI:

InChI=1S/C15H15N3O2/c1-11(19)15-16-7-8-18(15)10-13-9-14(20-17-13)12-5-3-2-4-6-12/h2-9,11,19H,10H2,1H3/t11-/m0/s1

InChIKey:

AFOXOGZPNJAOMI-NSHDSACASA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[C@H](O)c1nccn1Cc2cc(on2)c3ccccc3
OpenEye OEToolkits 2.0.7	CC(c1nccn1Cc2cc(on2)c3ccccc3)O
CACTVS 3.385	C[CH](O)c1nccn1Cc2cc(on2)c3ccccc3
OpenEye OEToolkits 2.0.7	C[C@@H](c1nccn1Cc2cc(on2)c3ccccc3)O

Name:

(1S)-1-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]ethanol

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).