BioLiP

PDB

BioLiP

PDB CCD ID:

NTN

Number of entries in BioLiP:

Chemical formula:

C6 H7 N3

InChI:

InChI=1S/C6H7N3/c7-6(8)5-1-3-9-4-2-5/h1-4H,(H3,7,8)

InChIKey:

BIJRUEBMNUUNIJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	NC(=N)c1ccncc1
OpenEye OEToolkits 1.5.0	c1cnccc1C(=N)N
ACDLabs 10.04	[N@H]=C(N)c1ccncc1

Name:

ISONICOTINAMIDINE

ZINC:

ZINC000002389932

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).