BioLiP

PDB

BioLiP

PDB CCD ID:

ZRY

Number of entries in BioLiP:

Chemical formula:

C14 H12 N4

InChI:

InChI=1S/C14H12N4/c15-13-11-8-4-5-9-12(11)14(16-13)18-17-10-6-2-1-3-7-10/h1-9,17H,(H2,15,16,18)

InChIKey:

XBVFGEHZRVLBOS-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC1=NC(=N/Nc2ccccc2)\c3ccccc13
CACTVS 3.385	NC1=NC(=NNc2ccccc2)c3ccccc13
ACDLabs 14.52	NC1=N/C(=N\Nc2ccccc2)c2ccccc12
OpenEye OEToolkits 3.1.0.0	c1ccc(cc1)NN=C2c3ccccc3C(=N2)N
OpenEye OEToolkits 3.1.0.0	c1ccc(cc1)N/N=C\2/c3ccccc3C(=N2)N

Name:

(1Z,3Z)-3-(2-phenylhydrazinylidene)-2,3-dihydro-1H-isoindol-1-imine

ZINC:

ZINC000070503730

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).