BioLiP

PDB

BioLiP

PDB CCD ID:

A1L0C

Number of entries in BioLiP:

Chemical formula:

C14 H25 B N4 O3

InChI:

InChI=1S/C14H25BN4O3/c1-10(2)8-13(15(21)22)16-14(20)12-9-19(18-17-12)11-6-4-3-5-7-11/h9-11,13,21-22H,3-8H2,1-2H3,(H,16,20)/t13-/m0/s1

InChIKey:

CZNHJEDLONNLAH-ZDUSSCGKSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)C[C@H](NC(=O)c1cn(nn1)C2CCCCC2)B(O)O
OpenEye OEToolkits 2.0.7	B(C(CC(C)C)NC(=O)c1cn(nn1)C2CCCCC2)(O)O
CACTVS 3.385	CC(C)C[CH](NC(=O)c1cn(nn1)C2CCCCC2)B(O)O
OpenEye OEToolkits 2.0.7	B([C@H](CC(C)C)NC(=O)c1cn(nn1)C2CCCCC2)(O)O

Name:

[(1R)-1-[(1-cyclohexyl-1,2,3-triazol-4-yl)carbonylamino]-3-methyl-butyl]boronic acid

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).