BioLiP

PDB

BioLiP

PDB CCD ID:

DYW

Number of entries in BioLiP:

Chemical formula:

C9 H14 N2 O5

InChI:

InChI=1S/C9H14N2O5/c10-5(4-7(12)13)8(14)11-3-1-2-6(11)9(15)16/h5-6H,1-4,10H2,(H,12,13)(H,15,16)/t5-,6-/m0/s1

InChIKey:

UKGGPJNBONZZCM-WDSKDSINSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(O)=O
OpenEye OEToolkits 2.0.6	C1CC(N(C1)C(=O)C(CC(=O)O)N)C(=O)O
OpenEye OEToolkits 2.0.6	C1C[C@H](N(C1)C(=O)[C@H](CC(=O)O)N)C(=O)O
CACTVS 3.385	N[CH](CC(O)=O)C(=O)N1CCC[CH]1C(O)=O

Name:

(2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid

ZINC:

ZINC000005134625

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).