BioLiP

PDB

BioLiP

PDB CCD ID:

HD0

Number of entries in BioLiP:

Chemical formula:

C10 H12 N4 O4

InChI:

InChI=1S/C10H12N4O4/c11-6-2-8(15)14(9(6)16)7(10(17)18)1-5-3-12-4-13-5/h3-4,6-7H,1-2,11H2,(H,12,13)(H,17,18)/t6-,7-/m0/s1

InChIKey:

AHZGEUMSNGPQLH-BQBZGAKWSA-N

SMILES:

Software	SMILES
CACTVS 3.370	N[C@H]1CC(=O)N([C@@H](Cc2[nH]cnc2)C(O)=O)C1=O
OpenEye OEToolkits 1.7.0	c1c([nH]cn1)C[C@@H](C(=O)O)N2C(=O)C[C@@H](C2=O)N
ACDLabs 12.01	O=C(O)C(N1C(=O)CC(C1=O)N)Cc2ncnc2
OpenEye OEToolkits 1.7.0	c1c([nH]cn1)CC(C(=O)O)N2C(=O)CC(C2=O)N
CACTVS 3.370	N[CH]1CC(=O)N([CH](Cc2[nH]cnc2)C(O)=O)C1=O

Name:

(2S)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-(1H-imidazol-5-yl)propanoic 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).