BioLiP

PDB

BioLiP

PDB CCD ID:

8WP

Number of entries in BioLiP:

Chemical formula:

C9 H7 F3 N4 O2

InChI:

InChI=1S/C9H7F3N4O2/c10-9(11,12)6-2-5-8(18)14-4(1-7(13)17)3-16(5)15-6/h2-3H,1H2,(H2,13,17)(H,14,18)

InChIKey:

NUSDSBLRWBKVLY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c2n(nc1C(F)(F)F)C=C(NC2=O)CC(=O)N
ACDLabs 12.01 CACTVS 3.385	NC(=O)CC1=Cn2nc(cc2C(=O)N1)C(F)(F)F

Name:

2-[(8S)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide

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).