BioLiP

PDB

BioLiP

PDB CCD ID:

EOA

Number of entries in BioLiP:

Chemical formula:

C9 H11 N O

InChI:

InChI=1S/C9H11NO/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,10,11)

InChIKey:

NOOOMJZHMKSKBF-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04 CACTVS 3.341	O=CNCCc1ccccc1
OpenEye OEToolkits 1.5.0	c1ccc(cc1)CCNC=O

Name:

N-PHENETHYL-FORMAMIDE

ZINC:

ZINC000001562004

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).