BioLiP

PDB

BioLiP

PDB CCD ID:

ABH

Number of entries in BioLiP:

Chemical formula:

C6 H15 B N O5

InChI:

InChI=1S/C6H15BNO5/c8-5(6(9)10)3-1-2-4-7(11,12)13/h5,11-13H,1-4,8H2,(H,9,10)/q-1/t5-/m0/s1

InChIKey:

BLVGFZFOWWBCCZ-YFKPBYRVSA-N

SMILES:

Software	SMILES
CACTVS 3.341	N[C@@H](CCCC[B-](O)(O)O)C(O)=O
ACDLabs 10.04	O=C(O)C(N)CCCC[B-](O)(O)O
OpenEye OEToolkits 1.5.0	[B-](CCCCC(C(=O)O)N)(O)(O)O
OpenEye OEToolkits 1.5.0	[B-](CCCC[C@@H](C(=O)O)N)(O)(O)O
CACTVS 3.341	N[CH](CCCC[B-](O)(O)O)C(O)=O

Name:

2(S)-AMINO-6-BORONOHEXANOIC ACID

DrugBank:

DB01983

ZINC:

ZINC000169748469

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).