BioLiP

PDB

BioLiP

PDB CCD ID:

4G6

Number of entries in BioLiP:

Chemical formula:

C4 H12 N2

InChI:

InChI=1S/C4H12N2/c1-4(2,6)3-5/h3,5-6H2,1-2H3

InChIKey:

OPCJOXGBLDJWRM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CC(C)(CN)N
ACDLabs 12.01 CACTVS 3.385	CC(C)(N)CN

Name:

2-methylpropane-1,2-diamine

ZINC:

ZINC000019366925

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).