BioLiP

PDB

BioLiP

PDB CCD ID:

4VV

Number of entries in BioLiP:

Chemical formula:

C15 H26 N6 O2

InChI:

InChI=1S/C15H26N6O2/c22-18-12-14-16-6-10-20(14)8-4-2-1-3-5-9-21-11-7-17-15(21)13-19-23/h6-7,12-13,18-19,22-23H,1-5,8-11H2/b14-12+,15-13+

InChIKey:

XUMCQYQLNOCDFI-QUMQEAAQSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	C1C=NC(=CNO)N1CCCCCCCN2CC=NC2=CNO
OpenEye OEToolkits 1.9.2	C1N(/C(=C/NO)/N=C1)CCCCCCCN2/C(=C/NO)/N=CC2
CACTVS 3.385	ONC=C1N=CCN1CCCCCCCN2CC=NC2=CNO
CACTVS 3.385	ON\C=C1/N=CCN1CCCCCCCN\2CC=NC\2=C\NO
ACDLabs 12.01	C(CCCCCCN1CC=NC1=[C@H]NO)N2CC=N\C2=C/NO

Name:

(Z,Z)-[heptane-1,7-diylbis(1H-imidazol-1-yl-2-ylidene)]bis(N-hydroxymethanamine)

ZINC:

ZINC000263621237

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).