BioLiP

PDB

BioLiP

PDB CCD ID:

RY2

Number of entries in BioLiP:

Chemical formula:

C7 H7 B N4 O2

InChI:

InChI=1S/C7H7BN4O2/c13-8(14)6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4,13-14H,(H,9,10,11,12)

InChIKey:

XMJKBDSKRITXBW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	B(c1cccc(c1)c2n[nH]nn2)(O)O
CACTVS 3.385	OB(O)c1cccc(c1)c2n[nH]nn2

Name:

(3-(1H-tetrazol-5-yl)phenyl)boronic acid;
[3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]boronic acid;
3-(1H-Tetrazol-5-yl)phenylboronic Acid;
3-(2H-Tetrazol-5-yl)-phenyl-boronic acid;
3-(TETRAZOL-5-YL)PHENYLBORONIC ACID;
Boronic acid,B-[3-(2H-tetrazol-5-yl)phenyl]-

ChEMBL:

CHEMBL5083690

ZINC:

ZINC000169743645

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).