BioLiP

PDB

BioLiP

PDB CCD ID:

A1IS7

Number of entries in BioLiP:

Chemical formula:

C24 H23 N O3

InChI:

InChI=1S/C24H23NO3/c1-17-14-18(10-13-24(28)11-6-3-7-12-24)15-21-20(17)16-22(23(26)27)25(21)19-8-4-2-5-9-19/h2,4-5,8-9,14-16,28H,3,6-7,11-12H2,1H3,(H,26,27)

InChIKey:

OQSLAIKDASKDDH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1cc(cc2n(c3ccccc3)c(cc12)C(O)=O)C#CC4(O)CCCCC4
OpenEye OEToolkits 2.0.7	Cc1cc(cc2c1cc(n2c3ccccc3)C(=O)O)C#CC4(CCCCC4)O

Name:

4-methyl-6-[2-(1-oxidanylcyclohexyl)ethynyl]-1-phenyl-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).