BioLiP

PDB

BioLiP

PDB CCD ID:

RZZ

Number of entries in BioLiP:

Chemical formula:

C8 H7 B O4

InChI:

InChI=1S/C8H7BO4/c10-8(11)5-1-2-6-4-13-9(12)7(6)3-5/h1-3,12H,4H2,(H,10,11)

InChIKey:

VXDGEAYKTHEYPI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	B1(c2cc(ccc2CO1)C(=O)O)O
CACTVS 3.385	OB1OCc2ccc(cc12)C(O)=O

Name:

1-Hydroxy-1,3-dihydro-2,1-benzoxaborole-6-carboxylic acid;
1-methyl-3H-2,1-benzoxaborole-6-carboxylic acid;
1-Hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxylic acid;
5-Carboxybenzoboroxole;
2,1-Benzoxaborole-6-carboxylic acid, 1,3-dihydro-1-hydroxy-

ChEMBL:

CHEMBL4539935

ZINC:

ZINC000169807767

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).