BioLiP

PDB

BioLiP

PDB CCD ID:

VSQ

Number of entries in BioLiP:

Chemical formula:

C8 H10 N2 O

InChI:

InChI=1S/C8H10N2O/c9-8(11)6-10-7-4-2-1-3-5-7/h1-5,10H,6H2,(H2,9,11)

InChIKey:

GXBRYTMUEZNYJT-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01 CACTVS 3.385	NC(=O)CNc1ccccc1
OpenEye OEToolkits 2.0.7	c1ccc(cc1)NCC(=O)N

Name:

N~2~-phenylglycinamide

ZINC:

ZINC000009322539

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).