BioLiP

PDB

BioLiP

PDB CCD ID:

9T8

Number of entries in BioLiP:

Chemical formula:

C8 H21 N3 O

InChI:

InChI=1S/C8H19N3O/c1-11(2)7-3-6-10-8(12)4-5-9/h3-7,9H2,1-2H3,(H,10,12)/p+2

InChIKey:

CKBSAZMXMFCAGN-UHFFFAOYSA-P

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.6	C[NH+](C)CCCNC(=O)CC[NH3+]

Name:

3-(3-azaniumylpropanoylamino)propyl-dimethyl-azanium

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).