BioLiP

PDB

BioLiP

PDB CCD ID:

A1AMM

Number of entries in BioLiP:

Chemical formula:

C16 H17 N O2

InChI:

InChI=1S/C16H17NO2/c17-15(16(18)19)11-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,15H,10-11,17H2,(H,18,19)/t15-/m0/s1

InChIKey:

FLAYVDDDWHBOIP-HNNXBMFYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)Cc2ccc(cc2)CC(C(=O)O)N
CACTVS 3.385	N[C@@H](Cc1ccc(Cc2ccccc2)cc1)C(O)=O
OpenEye OEToolkits 2.0.7	c1ccc(cc1)Cc2ccc(cc2)C[C@@H](C(=O)O)N
ACDLabs 12.01	NC(Cc1ccc(cc1)Cc1ccccc1)C(=O)O
CACTVS 3.385	N[CH](Cc1ccc(Cc2ccccc2)cc1)C(O)=O

Name:

4-benzyl-L-phenylalanine

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).