BioLiP

PDB

BioLiP

PDB CCD ID:

B2I

Number of entries in BioLiP:

Chemical formula:

C5 H14 B N O2

InChI:

InChI=1S/C5H14BNO2/c1-3-4(2)5(7)6(8)9/h4-5,8-9H,3,7H2,1-2H3/t4-,5+/m1/s1

InChIKey:

LCXREPGPURBYPC-UHNVWZDZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	B(C(C(C)CC)N)(O)O
CACTVS 3.370	CC[C@@H](C)[C@H](N)B(O)O
OpenEye OEToolkits 1.7.0	B([C@H]([C@H](C)CC)N)(O)O
CACTVS 3.370	CC[CH](C)[CH](N)B(O)O
ACDLabs 12.01	OB(O)C(N)C(C)CC

Name:

ISOLEUCINE BORONIC ACID

ZINC:

ZINC000195841932

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).