BioLiP

PDB

BioLiP

PDB CCD ID:

BPF

Number of entries in BioLiP:

Chemical formula:

C22 H26 N4 O

InChI:

InChI=1S/C22H24N4O/c1-3-25-21(23)17-9-5-15(6-10-17)19-13-14-20(27-19)16-7-11-18(12-8-16)22(24)26-4-2/h5-14H,3-4H2,1-2H3,(H2,23,25)(H2,24,26)/p+2

InChIKey:

UDRBFQQQLONWPG-UHFFFAOYSA-P

SMILES:

Software	SMILES
CACTVS 3.370	CC[NH+]=C(N)c1ccc(cc1)c2oc(cc2)c3ccc(cc3)C(N)=[NH+]CC
ACDLabs 12.01	o1c(ccc1c2ccc(/C(=[NH+]/CC)N)cc2)c3ccc(C(=[NH+]/CC)/N)cc3
OpenEye OEToolkits 1.7.6	CC/[NH+]=C(\N)/c1ccc(cc1)c2oc(cc2)c3ccc(cc3)/C(=[NH+]/CC)/N
OpenEye OEToolkits 1.7.6	CC[NH+]=C(c1ccc(cc1)c2ccc(o2)c3ccc(cc3)C(=[NH+]CC)N)N

Name:

N,N'-(furan-2,5-diylbis{benzene-4,1-diyl[(Z)-aminomethylylidene]})diethanaminium;
DB185;
FURAMIDINE DERIVATIVE

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).