BioLiP

PDB

BioLiP

PDB CCD ID:

0AY

Number of entries in BioLiP:

Chemical formula:

C9 H23 B N2 O2

InChI:

InChI=1S/C9H23BN2O2/c1-3-13-10(14-4-2)9(12)7-5-6-8-11/h9H,3-8,11-12H2,1-2H3/t9-/m0/s1

InChIKey:

FYUGRVWDCBMIQX-VIFPVBQESA-N

SMILES:

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

Name:

diethyl [(1R)-1,5-diaminopentyl]boronate

DrugBank:

DB06840

ZINC:

ZINC000169748490

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).