BioLiP

PDB

BioLiP

PDB CCD ID:

Z4I

Number of entries in BioLiP:

Chemical formula:

C14 H13 F2 N5 O2

InChI:

InChI=1S/C14H13F2N5O2/c15-11(16)13(23)21-20-12(22)10-7-18-14(19-8-10)17-6-9-4-2-1-3-5-9/h1-5,7-8,11H,6H2,(H,20,22)(H,21,23)(H,17,18,19)

InChIKey:

WAERNYVSQGAOPC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CNc2ncc(cn2)C(=O)NNC(=O)C(F)F
ACDLabs 12.01 CACTVS 3.385	FC(F)C(=O)NNC(=O)c1cnc(NCc2ccccc2)nc1

Name:

2-(benzylamino)-N'-(difluoroacetyl)pyrimidine-5-carbohydrazide

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).