BioLiP

PDB

BioLiP

PDB CCD ID:

BGF

Number of entries in BioLiP:

Chemical formula:

C18 H18 N4 O

InChI:

InChI=1S/C18H16N4O/c19-17(20)13-5-1-11(2-6-13)15-9-10-16(23-15)12-3-7-14(8-4-12)18(21)22/h1-10H,(H3,19,20)(H3,21,22)/p+2

InChIKey:

ZJHZBDRZEZEDGB-UHFFFAOYSA-P

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(=[NH2+])N)C(=[NH2+])N
CACTVS 3.341	NC(=[NH2+])c1ccc(cc1)c2oc(cc2)c3ccc(cc3)C(N)=[NH2+]
ACDLabs 10.04	o1c(ccc1c2ccc(\C(=[NH2+])N)cc2)c3ccc(C(=[NH2+])\N)cc3

Name:

2,5-BIS(4-GUANYLPHENYL)FURAN

ChEMBL:

CHEMBL31628

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).