BioLiP

PDB

BioLiP

PDB CCD ID:

98Q

Number of entries in BioLiP:

Chemical formula:

C10 H8 F3 N O

InChI:

InChI=1S/C10H8F3NO/c1-15-9-4-6-2-3-14-8(6)5-7(9)10(11,12)13/h2-5,14H,1H3

InChIKey:

KNMAZUXTEPXPOM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.6	COc1cc2cc[nH]c2cc1C(F)(F)F

Name:

5-methoxy-6-(trifluoromethyl)-1~{H}-indole

ZINC:

ZINC000034503706

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).