BioLiP

PDB

BioLiP

PDB CCD ID:

YBZ

Number of entries in BioLiP:

Chemical formula:

C9 H7 N3 S

InChI:

InChI=1S/C9H7N3S/c10-6-8-11-12-9(13-8)7-4-2-1-3-5-7/h1-6,10H/b10-6-

InChIKey:

QVNBGQAFZXYKBT-POHAHGRESA-N

SMILES:

Software	SMILES
CACTVS 3.385	N=Cc1sc(nn1)c2ccccc2
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2nnc(s2)C=N
OpenEye OEToolkits 2.0.7	[H]/N=C\c1nnc(s1)c2ccccc2

Name:

(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine

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).