BioLiP

PDB

BioLiP

PDB CCD ID:

KKH

Number of entries in BioLiP:

Chemical formula:

C14 H14 B N2 O4

InChI:

InChI=1S/C14H14BN2O4/c18-14(16-11-4-2-1-3-5-11)17-12-7-6-10-9-21-15(19,20)13(10)8-12/h1-8,19-20H,9H2,(H2,16,17,18)

InChIKey:

OKIGMHNAUDFPPL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	B1(c2cc(ccc2CO1)NC(=O)Nc3ccccc3)(O)O
CACTVS 3.385	O[B]1(O)OCc2ccc(NC(=O)Nc3ccccc3)cc12

Name:

1-[1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-6-yl]-3-phenyl-urea

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).