BioLiP

PDB

BioLiP

PDB CCD ID:

A1CTT

Number of entries in BioLiP:

Chemical formula:

C9 H11 N O2

InChI:

InChI=1S/C9H11NO2/c1-9(10,8(11)12)7-5-3-2-4-6-7/h2-6H,10H2,1H3,(H,11,12)/t9-/m0/s1

InChIKey:

HTCSFFGLRQDZDE-VIFPVBQESA-N

SMILES:

Software	SMILES
ACDLabs 14.52	CC(N)(C(=O)O)c1ccccc1
OpenEye OEToolkits 3.1.0.0	CC(c1ccccc1)(C(=O)O)N
CACTVS 3.385	C[C@@](N)(C(O)=O)c1ccccc1
OpenEye OEToolkits 3.1.0.0	C[C@](c1ccccc1)(C(=O)O)N
CACTVS 3.385	C[C](N)(C(O)=O)c1ccccc1

Name:

2-phenyl-D-alanine

ChEMBL:

CHEMBL3085306

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).