BioLiP

PDB

BioLiP

PDB CCD ID:

99Y

Number of entries in BioLiP:

Chemical formula:

C10 H11 N O4

InChI:

InChI=1S/C10H11NO4/c11-8(10(14)15)5-6-1-3-7(4-2-6)9(12)13/h1-4,8H,5,11H2,(H,12,13)(H,14,15)/t8-/m1/s1

InChIKey:

YXDGRBPZVQPESQ-MRVPVSSYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(ccc1CC(C(=O)O)N)C(=O)O
CACTVS 3.385	N[CH](Cc1ccc(cc1)C(O)=O)C(O)=O
CACTVS 3.385	N[C@H](Cc1ccc(cc1)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.6	c1cc(ccc1C[C@H](C(=O)O)N)C(=O)O
ACDLabs 12.01	C(N)(Cc1ccc(C(=O)O)cc1)C(=O)O

Name:

4-carboxy-D-phenylalanine

ZINC:

ZINC000004202287

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).