BioLiP

PDB

BioLiP

PDB CCD ID:

A1H0B

Number of entries in BioLiP:

Chemical formula:

C8 H16 B N O4

InChI:

InChI=1S/C8H16BNO4/c11-8(12)7-6(3-5-10-7)2-1-4-9(13)14/h6-7,10,13-14H,1-5H2,(H,11,12)/t6-,7+/m1/s1

InChIKey:

AMHQFAXDSRWEOU-RQJHMYQMSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	B(CCC[C@@H]1CCN[C@@H]1C(=O)O)(O)O
CACTVS 3.385	OB(O)CCC[C@@H]1CCN[C@@H]1C(O)=O
CACTVS 3.385	OB(O)CCC[CH]1CCN[CH]1C(O)=O
OpenEye OEToolkits 2.0.7	B(CCCC1CCNC1C(=O)O)(O)O

Name:

(2~{S},3~{R})-3-[3-(dihydroxyboranyl)propyl]pyrrolidine-2-carboxylic 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).