BioLiP

PDB

BioLiP

PDB CCD ID:

OKF

Number of entries in BioLiP:

Chemical formula:

C24 H21 N O2

InChI:

InChI=1S/C24H21NO2/c1-17-12-13-21-20(16-17)23(18-8-4-2-5-9-18)24(19-10-6-3-7-11-19)25(21)15-14-22(26)27/h2-13,16H,14-15H2,1H3,(H,26,27)

InChIKey:

PTAQSYCAZMXLFA-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)CCn1c2ccc(C)cc2c(c2ccccc2)c1c1ccccc1
OpenEye OEToolkits 2.0.7	Cc1ccc2c(c1)c(c(n2CCC(=O)O)c3ccccc3)c4ccccc4
CACTVS 3.385	Cc1ccc2n(CCC(O)=O)c(c3ccccc3)c(c4ccccc4)c2c1

Name:

3-(5-methyl-2,3-diphenyl-1H-indol-1-yl)propanoic acid

ZINC:

ZINC000000941040

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).