BioLiP

PDB

BioLiP

PDB CCD ID:

1PA

Number of entries in BioLiP:

Chemical formula:

C11 H13 N O4

InChI:

InChI=1S/C11H13NO4/c12-9(11(15)16)5-7-1-3-8(4-2-7)6-10(13)14/h1-4,9H,5-6,12H2,(H,13,14)(H,15,16)/t9-/m0/s1

InChIKey:

LJHYWUVYIKCPGU-VIFPVBQESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1cc(ccc1CC(C(=O)O)N)CC(=O)O
CACTVS 3.370	N[C@@H](Cc1ccc(CC(O)=O)cc1)C(O)=O
OpenEye OEToolkits 1.7.0	c1cc(ccc1C[C@@H](C(=O)O)N)CC(=O)O
ACDLabs 12.01	O=C(O)C(N)Cc1ccc(cc1)CC(=O)O
CACTVS 3.370	N[CH](Cc1ccc(CC(O)=O)cc1)C(O)=O

Name:

4-(carboxymethyl)-L-phenylalanine;
p-(carboxymethyl)phenylalanine

ZINC:

ZINC000006092920

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).