BioLiP

PDB

BioLiP

PDB CCD ID:

00O

Number of entries in BioLiP:

Chemical formula:

C15 H15 N O2

InChI:

InChI=1S/C15H15NO2/c16-14(15(17)18)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H,16H2,(H,17,18)/t14-/m1/s1

InChIKey:

PECGVEGMRUZOML-CQSZACIVSA-N

SMILES:

Software	SMILES
CACTVS 3.370	N[C@H](C(c1ccccc1)c2ccccc2)C(O)=O
OpenEye OEToolkits 1.7.0	c1ccc(cc1)C(c2ccccc2)C(C(=O)O)N
OpenEye OEToolkits 1.7.0	c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)O)N
CACTVS 3.370	N[CH](C(c1ccccc1)c2ccccc2)C(O)=O
ACDLabs 12.01	O=C(O)C(N)C(c1ccccc1)c2ccccc2

Name:

beta-phenyl-D-phenylalanine

ZINC:

ZINC000004204156

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).