BioLiP

PDB

BioLiP

PDB CCD ID:

I77

Number of entries in BioLiP:

Chemical formula:

C12 H11 N5 O2

InChI:

InChI=1S/C12H11N5O2/c13-11(18)7-1-3-9(15-5-7)10-4-2-8(6-16-10)12(19)17-14/h1-6H,14H2,(H2,13,18)(H,17,19)

InChIKey:

HCFBUFHFZAJOFM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NNC(=O)c1ccc(nc1)c2ccc(cn2)C(N)=O
ACDLabs 12.01	NC(=O)c1cnc(cc1)c1ccc(cn1)C(=O)NN
OpenEye OEToolkits 2.0.7	c1cc(ncc1C(=O)N)c2ccc(cn2)C(=O)NN

Name:

5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide

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).