BioLiP

PDB

BioLiP

PDB CCD ID:

BPR

Number of entries in BioLiP:

Chemical formula:

C9 H17 B N2 O3

InChI:

InChI=1S/C9H17BN2O3/c13-9(7-3-1-5-11-7)12-6-2-4-8(12)10(14)15/h7-8,11,14-15H,1-6H2/t7-,8-/m0/s1

InChIKey:

XSBZZZGVAIXJLD-YUMQZZPRSA-N

SMILES:

Software	SMILES
CACTVS 3.341	OB(O)[CH]1CCCN1C(=O)[CH]2CCCN2
ACDLabs 10.04	O=C(N1C(B(O)O)CCC1)C2NCCC2
OpenEye OEToolkits 1.5.0	B(C1CCCN1C(=O)C2CCCN2)(O)O
OpenEye OEToolkits 1.5.0	B([C@@H]1CCCN1C(=O)[C@@H]2CCCN2)(O)O
CACTVS 3.341	OB(O)[C@@H]1CCCN1C(=O)[C@@H]2CCCN2

Name:

(2R)-N-[(2R)-2-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-N-[(5R)-5-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-L-PROLINAMIDE

ChEMBL:

CHEMBL63895

DrugBank:

DB07482

ZINC:

ZINC000169748497

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).