BioLiP

PDB

BioLiP

PDB CCD ID:

GRZ

Number of entries in BioLiP:

Chemical formula:

C15 H10 Cl F N4 O3

InChI:

InChI=1S/C15H10ClFN4O3/c16-9-1-6-14(24-11-4-2-10(17)3-5-11)13(7-9)21-8-12(18-20-21)15(22)19-23/h1-8,23H,(H,19,22)

InChIKey:

NXLUFTCWMNFMML-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(ccc1Oc2ccc(cc2n3cc(nn3)C(=O)NO)Cl)F
CACTVS 3.385	ONC(=O)c1cn(nn1)c2cc(Cl)ccc2Oc3ccc(F)cc3

Name:

1-[5-chloranyl-2-(4-fluoranylphenoxy)phenyl]-~{N}-oxidanyl-1,2,3-triazole-4-carboxamide

ChEMBL:

CHEMBL4176696

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).