BioLiP

PDB

BioLiP

PDB CCD ID:

AFZ

Number of entries in BioLiP:

Chemical formula:

C18 H16 N4 O

InChI:

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

InChIKey:

FUKWHJZCIGIYGP-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	NC(=N)c1ccc(cc1)c2occ(c2)c3ccc(cc3)C(N)=N
ACDLabs 10.04	[N@H]=C(N)c3ccc(c2occ(c1ccc(C(=[N@H])N)cc1)c2)cc3
OpenEye OEToolkits 1.5.0	[H]N=C(c1ccc(cc1)c2cc(oc2)c3ccc(cc3)C(=N[H])N)N
OpenEye OEToolkits 1.5.0	[H]/N=C(\c1ccc(cc1)c2cc(oc2)c3ccc(cc3)/C(=N\[H])/N)/N

Name:

2,4-BIS(4-AMIDINOPHENYL)FURAN

ChEMBL:

CHEMBL480523

ZINC:

ZINC000006536320

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).