BioLiP

PDB

BioLiP

PDB CCD ID:

6FY

Number of entries in BioLiP:

Chemical formula:

C10 H19 N2 O7 P

InChI:

InChI=1S/C10H19N2O7P/c1-2-7(9(15)12-5-8(13)14)19-20(18)4-3-6(11)10(16)17/h6-7,20H,2-5,11H2,1H3,(H,12,15)(H,13,14)(H,16,17)/t6-,7+/m0/s1

InChIKey:

ZHBIUULHWXYKFH-NKWVEPMBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.5	CCC(C(=O)NCC(=O)O)OP(=O)CCC(C(=O)O)N
CACTVS 3.385	CC[C@@H](O[P@H](=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O
OpenEye OEToolkits 2.0.5	CC[C@H](C(=O)NCC(=O)O)O[P@H](=O)CC[C@@H](C(=O)O)N
CACTVS 3.385	CC[CH](O[PH](=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O

Name:

(2~{S})-2-azanyl-4-[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-butan-2-yl]oxyphosphonoyl-butanoic acid

ZINC:

ZINC000584904992

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).