BioLiP

PDB

BioLiP

PDB CCD ID:

FB6

Number of entries in BioLiP:

Chemical formula:

C7 H16 B N O4

InChI:

InChI=1S/C7H16BNO4/c1-7(9,6(10)11)4-2-3-5-8(12)13/h12-13H,2-5,9H2,1H3,(H,10,11)/t7-/m0/s1

InChIKey:

VJCNFQNUKLFMMR-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	B(CCCCC(C)(C(=O)O)N)(O)O
ACDLabs 12.01	O=C(O)C(N)(CCCCB(O)O)C
CACTVS 3.370	C[C@](N)(CCCCB(O)O)C(O)=O
CACTVS 3.370	C[C](N)(CCCCB(O)O)C(O)=O

Name:

6-(dihydroxyboranyl)-2-methyl-L-norleucine

ZINC:

ZINC000170145026

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).