SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C10 H7 Cl F3 N3 O

InChI:

InChI=1S/C10H7ClF3N3O/c11-9-2-1-7(3-8(9)10(12,13)14)17-4-6(5-18)15-16-17/h1-4,18H,5H2

InChIKey:

MTSIIXPDVHCKBB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(c(cc1n2cc(nn2)CO)C(F)(F)F)Cl
CACTVS 3.385	OCc1cn(nn1)c2ccc(Cl)c(c2)C(F)(F)F

Name:

[1-[4-chloranyl-3-(trifluoromethyl)phenyl]-1,2,3-triazol-4-yl]methanol;
(1-(4-Chloro-3-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)methanol

ChEMBL:

ZINC:

ZINC000052221164

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).