BioLiP

PDB

BioLiP

PDB CCD ID:

ZAE

Number of entries in BioLiP:

Chemical formula:

C10 H13 N O2

InChI:

InChI=1S/C10H13NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,12,13)/t9-/m1/s1

InChIKey:

SCIFESDRCALIIM-SECBINFHSA-N

SMILES:

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

Name:

N-methyl-D-phenylalanine

ZINC:

ZINC000012954903

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).