BioLiP

PDB

BioLiP

PDB CCD ID:

PCA

Number of entries in BioLiP:

Chemical formula:

C5 H7 N O3

InChI:

InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1

InChIKey:

ODHCTXKNWHHXJC-VKHMYHEASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1CC(=O)N[C@@H]1C(=O)O
CACTVS 3.341	OC(=O)[CH]1CCC(=O)N1
ACDLabs 10.04	O=C(O)C1NC(=O)CC1
CACTVS 3.341	OC(=O)[C@@H]1CCC(=O)N1
OpenEye OEToolkits 1.5.0	C1CC(=O)NC1C(=O)O

Name:

PYROGLUTAMIC ACID

ChEMBL:

CHEMBL397976

DrugBank:

DB03088

ZINC:

ZINC000003598263

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).