BioLiP

PDB

BioLiP

PDB CCD ID:

IBN

Number of entries in BioLiP:

Chemical formula:

C4 H11 N

InChI:

InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3

InChIKey:

KDSNLYIMUZNERS-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	NCC(C)C
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CC(C)CN

Name:

2-METHYLPROPAN-1-AMINE;
ISOBUTYRONITRILE

ZINC:

ZINC000004658586

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).