BioLiP

PDB

BioLiP

PDB CCD ID:

0YI

Number of entries in BioLiP:

Chemical formula:

C12 H11 Cl N4 O

InChI:

InChI=1S/C12H11ClN4O/c13-9-4-2-1-3-8(9)7-17-12-10(11(14)18)15-5-6-16-12/h1-6H,7H2,(H2,14,18)(H,16,17)

InChIKey:

SZIKCJPPVPPUMU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)CNc2c(nccn2)C(=O)N)Cl
CACTVS 3.385	NC(=O)c1nccnc1NCc2ccccc2Cl

Name:

3-[(2-chlorophenyl)methylamino]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).