BioLiP

PDB

BioLiP

PDB CCD ID:

A1APM

Number of entries in BioLiP:

Chemical formula:

C10 H13 N O2

InChI:

InChI=1S/C10H13NO2/c1-10(11,9(12)13)7-8-5-3-2-4-6-8/h2-6H,7,11H2,1H3,(H,12,13)/t10-/m0/s1

InChIKey:

HYOWVAAEQCNGLE-JTQLQIEISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C[C@](Cc1ccccc1)(C(=O)O)N
CACTVS 3.385	C[C](N)(Cc1ccccc1)C(O)=O
ACDLabs 12.01	NC(C)(Cc1ccccc1)C(=O)O
OpenEye OEToolkits 2.0.7	CC(Cc1ccccc1)(C(=O)O)N
CACTVS 3.385	C[C@](N)(Cc1ccccc1)C(O)=O

Name:

alpha-methyl-L-phenylalanine

ChEMBL:

CHEMBL4249392

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).