BioLiP

PDB

BioLiP

PDB CCD ID:

VKB

Number of entries in BioLiP:

Chemical formula:

C17 H15 N3 O

InChI:

InChI=1S/C17H15N3O/c18-17-15(10-12-4-2-1-3-5-12)20-16(11-19-17)13-6-8-14(21)9-7-13/h1-9,11,21H,10H2,(H2,18,19)

InChIKey:

BWNPYAKFDUFNND-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1ncc(nc1Cc2ccccc2)c3ccc(O)cc3
OpenEye OEToolkits 2.0.7	c1ccc(cc1)Cc2c(ncc(n2)c3ccc(cc3)O)N

Name:

4-[5-azanyl-6-(phenylmethyl)pyrazin-2-yl]phenol

ZINC:

ZINC000003649955

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).