BioLiP

PDB

BioLiP

PDB CCD ID:

RM8

Number of entries in BioLiP:

Chemical formula:

C19 H22 N4

InChI:

InChI=1S/C19H22N4/c1-15-17(16-6-2-3-7-18(16)21-15)14-22-10-12-23(13-11-22)19-8-4-5-9-20-19/h2-9,21H,10-14H2,1H3

InChIKey:

ZAXKSLQZANTESC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	Cc1[nH]c2ccccc2c1CN3CCN(CC3)c4ccccn4
OpenEye OEToolkits 1.7.2	Cc1c(c2ccccc2[nH]1)CN3CCN(CC3)c4ccccn4
ACDLabs 12.01	n1ccccc1N4CCN(Cc2c(nc3ccccc23)C)CC4

Name:

2-methyl-3-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1H-indole

ChEMBL:

CHEMBL1215474

ZINC:

ZINC000002490706

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).