BioLiP

PDB

BioLiP

PDB CCD ID:

6PR

Number of entries in BioLiP:

Chemical formula:

C6 H11 N2 O7 P

InChI:

InChI=1S/C6H11N2O7P/c7-6(12)3(1-5(10)11)8-4(9)2-16(13,14)15/h3H,1-2H2,(H2,7,12)(H,8,9)(H,10,11)(H2,13,14,15)/t3-/m0/s1

InChIKey:

HCFYWDYKLQITSR-VKHMYHEASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C([C@@H](C(=O)N)NC(=O)CP(=O)(O)O)C(=O)O
CACTVS 3.341	NC(=O)[C@H](CC(O)=O)NC(=O)C[P](O)(O)=O
CACTVS 3.341	NC(=O)[CH](CC(O)=O)NC(=O)C[P](O)(O)=O
ACDLabs 10.04	O=C(NC(C(=O)N)CC(=O)O)CP(=O)(O)O
OpenEye OEToolkits 1.5.0	C(C(C(=O)N)NC(=O)CP(=O)(O)O)C(=O)O

Name:

(S)-4-AMINO-4-OXO-3-(2-PHOSPHONOACETAMIDO)BUTANOIC ACID;
(PHOSPHONOACETYL)-L-ALPHA-ASPARAGINE

ZINC:

ZINC000016052095

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).