BioLiP

PDB

BioLiP

PDB CCD ID:

NPN

Number of entries in BioLiP:

Chemical formula:

C4 H7 N

InChI:

InChI=1S/C4H7N/c1-3-4-5-2/h3-4H2,1H3

InChIKey:

FFDKYFGBIQQMSR-UHFFFAOYSA-N

SMILES:

Software	SMILES
	isocyanide
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CCC[N+]#[C-]

Name:

N-PROPYL ISOCYANIDE

DrugBank:

DB04050

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).