BioLiP

PDB

BioLiP

PDB CCD ID:

A1H1U

Number of entries in BioLiP:

Chemical formula:

C9 H9 B O4

InChI:

InChI=1S/C9H9BO4/c11-9(12)5-8-6-3-1-2-4-7(6)10(13)14-8/h1-4,8,13H,5H2,(H,11,12)/t8-/m1/s1

InChIKey:

ZJBJWSMUEYQHQD-MRVPVSSYSA-N

SMILES:

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

Name:

2-[(3~{R})-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]ethanoic acid;
4'-methylflavone

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).