BioLiP

PDB

BioLiP

PDB CCD ID:

A2C

Number of entries in BioLiP:

Chemical formula:

C18 H20 N6 O2

InChI:

InChI=1S/C18H20N6O2/c19-17(20)11-1-3-15(25)13(7-11)9-23-5-6-24-10-14-8-12(18(21)22)2-4-16(14)26/h1-4,7-10,25-26H,5-6H2,(H3,19,20)(H3,21,22)

InChIKey:

YUJGWDWOHQDFJV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.352	NC(=N)c1ccc(O)c(C=NCCN=Cc2cc(ccc2O)C(N)=N)c1
OpenEye OEToolkits 1.7.0	c1cc(c(cc1C(=N)N)C=NCCN=Cc2cc(ccc2O)C(=N)N)O
OpenEye OEToolkits 1.7.0	[H]/N=C(\N)/c1cc(c(cc1)O)C=NCCN=Cc2c(ccc(c2)/C(=N\[H])/N)O

Name:

3,3'-[ethane-1,2-diylbis(nitrilomethylylidene)]bis(4-hydroxybenzenecarboximidamide)

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).