BioLiP

PDB

BioLiP

PDB CCD ID:

KSN

Number of entries in BioLiP:

Chemical formula:

C10 H16 N2 O7

InChI:

InChI=1S/C10H16N2O7/c11-5(9(16)17)1-3-7(13)12-6(10(18)19)2-4-8(14)15/h5-6H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)/t5-,6-/m0/s1

InChIKey:

OWQDWQKWSLFFFR-WDSKDSINSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[CH](CCC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O
CACTVS 3.385	N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7	C(CC(=O)NC(CCC(=O)O)C(=O)O)C(C(=O)O)N
OpenEye OEToolkits 2.0.7	C(CC(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C(=O)O)N

Name:

(2~{S})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid

ZINC:

ZINC000002242694

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).