BioLiP

PDB

BioLiP

PDB CCD ID:

5DW

Number of entries in BioLiP:

Chemical formula:

C11 H11 N O2

InChI:

InChI=1S/C11H11NO2/c1-2-8-3-5-9(6-4-8)7-10(12)11(13)14/h1,3-6,10H,7,12H2,(H,13,14)/t10-/m0/s1

InChIKey:

PPDNGMUGVMESGE-JTQLQIEISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	C#Cc1ccc(cc1)CC(C(=O)O)N
ACDLabs 12.01	C(c1ccc(CC(N)C(=O)O)cc1)#C
CACTVS 3.385	N[C@@H](Cc1ccc(cc1)C#C)C(O)=O
OpenEye OEToolkits 1.9.2	C#Cc1ccc(cc1)C[C@@H](C(=O)O)N
CACTVS 3.385	N[CH](Cc1ccc(cc1)C#C)C(O)=O

Name:

4-ethynyl-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).