BioLiP

PDB

BioLiP

PDB CCD ID:

52A

Number of entries in BioLiP:

Chemical formula:

C6 H10 N2 O4

InChI:

InChI=1S/C6H10N2O4/c7-6(5(11)12)1-3(4(9)10)8-2-6/h3,8H,1-2,7H2,(H,9,10)(H,11,12)/t3-,6-/m1/s1

InChIKey:

XZFMJVJDSYRWDQ-AWFVSMACSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1C(NCC1(C(=O)O)N)C(=O)O
OpenEye OEToolkits 1.5.0	C1[C@@H](NC[C@]1(C(=O)O)N)C(=O)O
ACDLabs 10.04	O=C(O)C1(N)CC(C(=O)O)NC1
CACTVS 3.341	N[C]1(CN[CH](C1)C(O)=O)C(O)=O
CACTVS 3.341	N[C@]1(CN[C@H](C1)C(O)=O)C(O)=O

Name:

(2R,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid;
2R,4R-APDC

ChEMBL:

CHEMBL40086

ZINC:

ZINC000032628523

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).