BioLiP

PDB

BioLiP

PDB CCD ID:

B0M

Number of entries in BioLiP:

Chemical formula:

C14 H17 N3 O

InChI:

InChI=1S/C14H17N3O/c1-16-6-8-17(9-7-16)14(18)12-3-2-11-4-5-15-13(11)10-12/h2-5,10,15H,6-9H2,1H3

InChIKey:

RQGONLHJHLGBII-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.6	CN1CCN(CC1)C(=O)c2ccc3cc[nH]c3c2

Name:

1~{H}-indol-6-yl-(4-methylpiperazin-1-yl)methanone

ZINC:

ZINC000001501734

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).