BioLiP

PDB

BioLiP

PDB CCD ID:

Q1H

Number of entries in BioLiP:

Chemical formula:

C13 H10 F3 N3 O

InChI:

InChI=1S/C13H10F3N3O/c14-13(15,16)8-3-4-11-10(6-8)18-12(17)19(11)7-9-2-1-5-20-9/h1-6H,7H2,(H2,17,18)

InChIKey:

QYVPLFHAOLRMBY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(oc1)Cn2c3ccc(cc3nc2N)C(F)(F)F
CACTVS 3.385	Nc1nc2cc(ccc2n1Cc3occc3)C(F)(F)F

Name:

1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-amine

ZINC:

ZINC000008013612

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).