BioLiP

PDB

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C17 H15 N2

InChI:

InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3/p+1

InChIKey:

CTSPAMFJBXKSOY-UHFFFAOYSA-O

SMILES:

Software	SMILES
CACTVS 3.341	Cc1c2[nH]c3ccccc3c2c(C)c4c[nH+]ccc14
ACDLabs 10.04	c1cccc4c1c2c(c(c3c(c2C)c[nH+]cc3)C)n4
OpenEye OEToolkits 1.5.0	Cc1c2cc[nH+]cc2c(c3c1[nH]c4c3cccc4)C

Name:

ELLIPTICINE

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).