BioLiP

PDB

BioLiP

PDB CCD ID:

A1I72

Number of entries in BioLiP:

Chemical formula:

C12 H15 N3

InChI:

InChI=1S/C12H15N3/c1-2-10-11(8-15-12(10)14-5-1)9-3-6-13-7-4-9/h1-2,5,8-9,13H,3-4,6-7H2,(H,14,15)

InChIKey:

OUNKWLVIJBPPIF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2c(c[nH]c2nc1)C3CCNCC3
CACTVS 3.385	C1CC(CCN1)c2c[nH]c3ncccc23

Name:

3-piperidin-4-yl-1~{H}-pyrrolo[2,3-b]pyridine

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).