BioLiP

PDB

BioLiP

PDB CCD ID:

7E5

Number of entries in BioLiP:

Chemical formula:

C12 H13 N O5

InChI:

InChI=1S/C12H13NO5/c14-11(15)8-3-1-2-4-10(8)18-7-5-9(12(16)17)13-6-7/h1-4,7,9,13H,5-6H2,(H,14,15)(H,16,17)/t7-,9+/m1/s1

InChIKey:

XHABYXGKUZQAIW-APPZFPTMSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc(c(c1)C(=O)O)OC2CC(NC2)C(=O)O
CACTVS 3.385	OC(=O)[C@@H]1C[C@H](CN1)Oc2ccccc2C(O)=O
CACTVS 3.385	OC(=O)[CH]1C[CH](CN1)Oc2ccccc2C(O)=O
OpenEye OEToolkits 2.0.6	c1ccc(c(c1)C(=O)O)O[C@@H]2C[C@H](NC2)C(=O)O

Name:

(2~{S},4~{R})-4-(2-carboxyphenoxy)pyrrolidine-2-carboxylic acid

ChEMBL:

CHEMBL4117901

ZINC:

ZINC000223803105

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).