BioLiP

PDB

BioLiP

PDB CCD ID:

ZSA

Number of entries in BioLiP:

Chemical formula:

C9 H10 N6

InChI:

InChI=1S/C9H10N6/c10-7-5-3-1-2-4-6(5)8(13-7)14-15-9(11)12/h1-4H,(H2,10,13,14)(H4,11,12,15)

InChIKey:

MMCURALNZRAPHY-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	N=C(N)N\N=C1/N=C(N)c2ccccc21
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)C(=NC2=NNC(=N)N)N
OpenEye OEToolkits 2.0.7	c1ccc\2c(c1)C(=N/C2=N\NC(=N)N)N
CACTVS 3.385	NC(=N)N/N=C/1N=C(N)c2ccccc/12
CACTVS 3.385	NC(=N)NN=C1N=C(N)c2ccccc12

Name:

(2Z)-2-(3-amino-1H-isoindol-1-ylidene)hydrazine-1-carboximidamide

ZINC:

ZINC000013571731

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).