BioLiP

PDB

BioLiP

PDB CCD ID:

A1AO5

Number of entries in BioLiP:

Chemical formula:

C23 H21 N O3

InChI:

InChI=1S/C23H21NO3/c1-27-14-13-24-21-12-5-4-11-19(21)20(22(24)23(25)26)15-17-9-6-8-16-7-2-3-10-18(16)17/h2-12H,13-15H2,1H3,(H,25,26)

InChIKey:

FPYWWHNXRUTZGQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)c1c(Cc2cccc3ccccc32)c2ccccc2n1CCOC
CACTVS 3.385	COCCn1c2ccccc2c(Cc3cccc4ccccc34)c1C(O)=O
OpenEye OEToolkits 2.0.7	COCCn1c2ccccc2c(c1C(=O)O)Cc3cccc4c3cccc4

Name:

1-(2-methoxyethyl)-3-[(naphthalen-1-yl)methyl]-1H-indole-2-carboxylic acid

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).