BioLiP

PDB

BioLiP

PDB CCD ID:

ZMD

Number of entries in BioLiP:

Chemical formula:

C7 H7 B O3

InChI:

InChI=1S/C7H7BO3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4,7,9-10H/t7-/m0/s1

InChIKey:

GKXMUTRKNBAUGN-ZETCQYMHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OB1O[CH](O)c2ccccc12
CACTVS 3.385	OB1O[C@H](O)c2ccccc12
OpenEye OEToolkits 2.0.7	B1(c2ccccc2C(O1)O)O
OpenEye OEToolkits 2.0.7	B1(c2ccccc2[C@H](O1)O)O
ACDLabs 12.01	OB1OC(O)c2ccccc12

Name:

(3S)-2,1-benzoxaborole-1,3(3H)-diol

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).