BioLiP

PDB

BioLiP

PDB CCD ID:

A1ENH

Number of entries in BioLiP:

Chemical formula:

C10 H14 N2 O

InChI:

InChI=1S/C10H14N2O/c13-8-9-3-4-11-10(7-9)12-5-1-2-6-12/h3-4,7,13H,1-2,5-6,8H2

InChIKey:

AGJOWKGAYXTDCC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cnc(cc1CO)N2CCCC2
CACTVS 3.385	OCc1ccnc(c1)N2CCCC2

Name:

(2-pyrrolidin-1-ylpyridin-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).