BioLiP

PDB

BioLiP

PDB CCD ID:

I6Y

Number of entries in BioLiP:

Chemical formula:

C19 H22 N4

InChI:

InChI=1S/C19H22N4/c1-2-19-18(15-17(1)16-3-6-20-7-4-16)5-10-23(19)14-13-22-11-8-21-9-12-22/h1-7,10,15,21H,8-9,11-14H2

InChIKey:

VBMJJJLARMSVGX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2c(ccn2CCN3CCNCC3)cc1c4ccncc4
CACTVS 3.385	C1CN(CCN1)CCn2ccc3cc(ccc23)c4ccncc4

Name:

1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole

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).