BioLiP

PDB

BioLiP

PDB CCD ID:

A1L0D

Number of entries in BioLiP:

Chemical formula:

C16 H27 B N4 O3

InChI:

InChI=1S/C16H27BN4O3/c22-16(18-15(17(23)24)12-7-3-1-4-8-12)14-11-21(20-19-14)13-9-5-2-6-10-13/h11-13,15,23-24H,1-10H2,(H,18,22)/t15-/m0/s1

InChIKey:

SSGADSLNPZAYBK-HNNXBMFYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OB(O)[C@@H](NC(=O)c1cn(nn1)C2CCCCC2)C3CCCCC3
OpenEye OEToolkits 2.0.7	B([C@H](C1CCCCC1)NC(=O)c2cn(nn2)C3CCCCC3)(O)O
CACTVS 3.385	OB(O)[CH](NC(=O)c1cn(nn1)C2CCCCC2)C3CCCCC3
OpenEye OEToolkits 2.0.7	B(C(C1CCCCC1)NC(=O)c2cn(nn2)C3CCCCC3)(O)O

Name:

[(~{R})-cyclohexyl-[(1-cyclohexyl-1,2,3-triazol-4-yl)carbonylamino]methyl]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).