SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C12 H9 F3 N2 O2

InChI:

InChI=1S/C12H9F3N2O2/c13-12(14,15)9-3-1-8(2-4-9)7-17-6-5-16-10(17)11(18)19/h1-6H,7H2,(H,18,19)

InChIKey:

ZFSDMZSXZJAZHR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1Cn2ccnc2C(=O)O)C(F)(F)F
CACTVS 3.385	OC(=O)c1nccn1Cc2ccc(cc2)C(F)(F)F

Name:

1-[[4-(trifluoromethyl)phenyl]methyl]imidazole-2-carboxylic acid

ChEMBL:

ZINC:

ZINC000098214010

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).