BioLiP

PDB

BioLiP

PDB CCD ID:

HPQ

Number of entries in BioLiP:

Chemical formula:

C11 H15 N O

InChI:

InChI=1S/C11H15NO/c1-9(13)11(12)8-7-10-5-3-2-4-6-10/h2-6,11H,7-8,12H2,1H3/t11-/m0/s1

InChIKey:

ZDTWNRLBYDWRII-NSHDSACASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(=O)C(CCc1ccccc1)N
CACTVS 3.341	CC(=O)[C@@H](N)CCc1ccccc1
OpenEye OEToolkits 1.5.0	CC(=O)[C@H](CCc1ccccc1)N
CACTVS 3.341	CC(=O)[CH](N)CCc1ccccc1
ACDLabs 10.04	O=C(C(N)CCc1ccccc1)C

Name:

HOMOPHENYLALANINYLMETHANE

DrugBank:

DB07913

ZINC:

ZINC000044460088

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).