BioLiP

PDB

BioLiP

PDB CCD ID:

U2H

Number of entries in BioLiP:

Chemical formula:

C20 H24 N2 O

InChI:

InChI=1S/C20H24N2O/c1-3-11-22(2)14-17-13-21-20-10-9-18(12-19(17)20)23-15-16-7-5-4-6-8-16/h4-10,12-13,21H,3,11,14-15H2,1-2H3

InChIKey:

IWUWPBUWKVJQPU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCN(C)Cc1c[nH]c2c1cc(cc2)OCc3ccccc3
CACTVS 3.385	CCCN(C)Cc1c[nH]c2ccc(OCc3ccccc3)cc12

Name:

~{N}-methyl-~{N}-[(5-phenylmethoxy-1~{H}-indol-3-yl)methyl]propan-1-amine

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).