BioLiP

PDB

BioLiP

PDB CCD ID:

DN8

Number of entries in BioLiP:

Chemical formula:

C14 H10 Br N5 O

InChI:

InChI=1S/C14H10BrN5O/c15-11-5-1-4-10(7-11)14(21)16-12-6-2-3-9(8-12)13-17-19-20-18-13/h1-8H,(H,16,21)(H,17,18,19,20)

InChIKey:

HXGCQRJRUHDKKD-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1cc(cc(c1)NC(=O)c2cccc(c2)Br)c3[nH]nnn3
CACTVS 3.370	Brc1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3
ACDLabs 12.01	Brc1cccc(c1)C(=O)Nc2cccc(c2)c3nnnn3

Name:

3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide

ChEMBL:

CHEMBL2031545

ZINC:

ZINC000008708143

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).