BioLiP

PDB

BioLiP

PDB CCD ID:

ZS1

Number of entries in BioLiP:

Chemical formula:

C8 H7 N3

InChI:

InChI=1S/C8H7N3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H,(H3,9,10,11)

InChIKey:

RZVCEPSDYHAHLX-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC1=NC(=N)c2ccccc12
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)C(=NC2=N)N
OpenEye OEToolkits 2.0.7	[H]/N=C\1/c2ccccc2C(=N1)N
ACDLabs 12.01	N=C1N=C(N)c2ccccc12

Name:

(1Z)-1-imino-1H-isoindol-3-amine

ChEMBL:

CHEMBL3185395

ZINC:

ZINC000000388558

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).