BioLiP

PDB

BioLiP

PDB CCD ID:

A1L2K

Number of entries in BioLiP:

Chemical formula:

C12 H12 Cl N7 O

InChI:

InChI=1S/C12H12ClN7O/c13-8-10(15)19-9(14)7(18-8)11(21)20-12(16)17-6-4-2-1-3-5-6/h1-5H,(H4,14,15,19)(H3,16,17,20,21)

InChIKey:

NIOHELZQFBGCEO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)NC(=N)NC(=O)c2c(nc(c(n2)Cl)N)N
CACTVS 3.385	Nc1nc(N)c(nc1Cl)C(=O)NC(=N)Nc2ccccc2

Name:

phenamil;
3,5-bis(azanyl)-6-chloranyl-~{N}-(~{N}-phenylcarbamimidoyl)pyrazine-2-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).