BioLiP

PDB

BioLiP

PDB CCD ID:

C7V

Number of entries in BioLiP:

Chemical formula:

C20 H15 F3 N4 O2

InChI:

InChI=1S/C20H15F3N4O2/c1-12-10-24-29-17(12)19(28)25-18-15-4-2-3-5-16(15)27(26-18)11-13-6-8-14(9-7-13)20(21,22)23/h2-10H,11H2,1H3,(H,25,26,28)

InChIKey:

KHOZFUGNWQHUQI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1cnoc1C(=O)Nc2nn(Cc3ccc(cc3)C(F)(F)F)c4ccccc24
OpenEye OEToolkits 2.0.6	Cc1cnoc1C(=O)Nc2c3ccccc3n(n2)Cc4ccc(cc4)C(F)(F)F
ACDLabs 12.01	c1cc(C(F)(F)F)ccc1Cn3nc(NC(=O)c2oncc2C)c4ccccc34

Name:

4-methyl-N-(1-{[4-(trifluoromethyl)phenyl]methyl}-1H-indazol-3-yl)-1,2-oxazole-5-carboxamide

ChEMBL:

CHEMBL4460031

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).