BioLiP

PDB

BioLiP

PDB CCD ID:

A1LYL

Number of entries in BioLiP:

Chemical formula:

C16 H19 N3 O

InChI:

InChI=1S/C16H19N3O/c1-11-16-14(6-7-17-11)13-5-4-12(10-15(13)18-16)20-9-8-19(2)3/h4-7,10,18H,8-9H2,1-3H3

InChIKey:

RMAYMVOWWDYRGB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN(C)CCOc1ccc2c([nH]c3c(C)nccc23)c1
OpenEye OEToolkits 2.0.7	Cc1c2c(ccn1)c3ccc(cc3[nH]2)OCCN(C)C

Name:

~{N},~{N}-dimethyl-2-[(1-methyl-9~{H}-pyrido[3,4-b]indol-7-yl)oxy]ethanamine

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).