BioLiP

PDB

BioLiP

PDB CCD ID:

A1H6U

Number of entries in BioLiP:

Chemical formula:

C14 H18 N2 O

InChI:

InChI=1S/C14H18N2O/c17-14(11-5-2-1-3-6-11)13-8-4-7-12-9-15-10-16(12)13/h4,7-11,14,17H,1-3,5-6H2

InChIKey:

MHPBLJWAAANDQV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2cncn2c(c1)[C@H](C3CCCCC3)O
CACTVS 3.385	O[CH](C1CCCCC1)c2cccc3cncn23
OpenEye OEToolkits 2.0.7	c1cc2cncn2c(c1)C(C3CCCCC3)O
CACTVS 3.385	O[C@@H](C1CCCCC1)c2cccc3cncn23

Name:

(~{S})-cyclohexyl(imidazo[1,5-a]pyridin-5-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).