BioLiP

PDB

BioLiP

PDB CCD ID:

AYN

Number of entries in BioLiP:

Chemical formula:

C16 H11 F3 N2 O

InChI:

InChI=1S/C16H11F3N2O/c17-16(18,19)11-5-3-6-12(9-11)21-13-7-2-1-4-10(13)8-14(21)15(20)22/h1-9H,(H2,20,22)

InChIKey:

IRJUBZXSBPCNAU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc2c(c1)cc(n2c3cccc(c3)C(F)(F)F)C(=O)N
CACTVS 3.385	NC(=O)c1cc2ccccc2n1c3cccc(c3)C(F)(F)F

Name:

1-[3-(trifluoromethyl)phenyl]indole-2-carboxamide

ChEMBL:

CHEMBL4169491

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).