BioLiP

PDB

BioLiP

PDB CCD ID:

A1IER

Number of entries in BioLiP:

Chemical formula:

C16 H12 Cl N5 O

InChI:

InChI=1S/C16H12ClN5O/c17-11-6-13-8-18-10-21(13)15(7-11)16(23)14-9-22(20-19-14)12-4-2-1-3-5-12/h1-10,16,23H

InChIKey:

HLZKZNRPDYOLBZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[C@@H](c1cn(nn1)c2ccccc2)c3cc(Cl)cc4cncn34
CACTVS 3.385	O[CH](c1cn(nn1)c2ccccc2)c3cc(Cl)cc4cncn34
OpenEye OEToolkits 2.0.7	c1ccc(cc1)n2cc(nn2)C(c3cc(cc4n3cnc4)Cl)O
OpenEye OEToolkits 2.0.7	c1ccc(cc1)n2cc(nn2)[C@@H](c3cc(cc4n3cnc4)Cl)O

Name:

(~{R})-(7-chloranylimidazo[1,5-a]pyridin-5-yl)-(1-phenyl-1,2,3-triazol-4-yl)methanol

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).