BioLiP

PDB

BioLiP

PDB CCD ID:

FHQ

Number of entries in BioLiP:

Chemical formula:

C10 H9 Br N6 O

InChI:

InChI=1S/C10H9BrN6O/c11-8-3-1-7(2-4-8)6-12-15-10(18)5-9-13-16-17-14-9/h1-4,6H,5H2,(H,15,18)(H,13,14,16,17)/b12-6+

InChIKey:

JWJFYTRXLSOUEZ-WUXMJOGZSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Brc1ccc(cc1)C=NNC(=O)Cc2n[nH]nn2
OpenEye OEToolkits 2.0.6	c1cc(ccc1C=NNC(=O)Cc2n[nH]nn2)Br
CACTVS 3.385	Brc1ccc(cc1)/C=N/NC(=O)Cc2n[nH]nn2
OpenEye OEToolkits 2.0.6	c1cc(ccc1/C=N/NC(=O)Cc2n[nH]nn2)Br

Name:

~{N}-[(~{E})-(4-bromophenyl)methylideneamino]-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanamide

ZINC:

ZINC000006557364

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).