BioLiP

PDB

BioLiP

PDB CCD ID:

TB0

Number of entries in BioLiP:

Chemical formula:

C5 H9 N

InChI:

InChI=1S/C5H9N/c1-5(2,3)6-4/h1-3H3

InChIKey:

FAGLEPBREOXSAC-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	2-isocyano-2-methylpropane
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CC(C)(C)[N+]#[C-]

Name:

tert-butyl isocyanide

ZINC:

ZINC000058638507

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).