BioLiP

PDB

BioLiP

PDB CCD ID:

HPC

Number of entries in BioLiP:

Chemical formula:

C10 H13 N O

InChI:

InChI=1/C10H13NO/c1-8(12)10(11)7-9-5-3-2-4-6-9/h2-6,10H,7,11H2,1H3/t10-/m0/s1

InChIKey:

RTUDQBPZFFIRAD-JTQLQIEIBF

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(C(N)Cc1ccccc1)C
OpenEye OEToolkits 1.5.0	CC(=O)C(Cc1ccccc1)N
CACTVS 3.341	CC(=O)[C@@H](N)Cc1ccccc1
OpenEye OEToolkits 1.5.0	CC(=O)[C@H](Cc1ccccc1)N
CACTVS 3.341	CC(=O)[CH](N)Cc1ccccc1

Name:

3-AMINO-4-PHENYL-BUTAN-2-ONE

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).