BioLiP

PDB

BioLiP

PDB CCD ID:

IRS

Number of entries in BioLiP:

Chemical formula:

C4 H9 N

InChI:

InChI=1S/C4H9N/c1-4(2)3-5/h1,3,5H2,2H3

InChIKey:

VXDHQYLFEYUMFY-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	C=C(/C)CN
CACTVS 3.370 OpenEye OEToolkits 1.7.0	CC(=C)CN

Name:

2-methylprop-2-en-1-amine

ZINC:

ZINC000001664996

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).