BioLiP

PDB

BioLiP

PDB CCD ID:

TG2

Number of entries in BioLiP:

Chemical formula:

C18 H17 N O4

InChI:

InChI=1S/C18H17NO4/c20-17(21)16-10-15(11-19-16)23-18(22)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15-16,19H,10-11H2,(H,20,21)/t15-,16-/m1/s1

InChIKey:

GCIZCIZLSHSWDS-HZPDHXFCSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2ccc(cc2)C(=O)OC3CC(NC3)C(=O)O
CACTVS 3.385	OC(=O)[CH]1C[CH](CN1)OC(=O)c2ccc(cc2)c3ccccc3
CACTVS 3.385	OC(=O)[C@H]1C[C@H](CN1)OC(=O)c2ccc(cc2)c3ccccc3

Name:

4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid

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).