BioLiP

PDB

BioLiP

PDB CCD ID:

FM5

Number of entries in BioLiP:

Chemical formula:

C11 H14 Cl2 N O5 P

InChI:

InChI=1S/C11H14Cl2NO5P/c1-7(15)14(16)5-4-11(20(17,18)19)8-2-3-9(12)10(13)6-8/h2-3,6,11,16H,4-5H2,1H3,(H2,17,18,19)/t11-/m0/s1

InChIKey:

ABGCTQYLJZGMBM-NSHDSACASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.6.1	CC(=O)N(CCC(c1ccc(c(c1)Cl)Cl)P(=O)(O)O)O
OpenEye OEToolkits 1.6.1	CC(=O)N(CC[C@@H](c1ccc(c(c1)Cl)Cl)P(=O)(O)O)O
CACTVS 3.352	CC(=O)N(O)CC[C@@H](c1ccc(Cl)c(Cl)c1)[P](O)(O)=O
CACTVS 3.352	CC(=O)N(O)CC[CH](c1ccc(Cl)c(Cl)c1)[P](O)(O)=O

Name:

3-(N-HYDROXYACETAMIDO)-1-(3,4-DICHLOROPHENYL)PROPYLPHOSPHONIC ACID

ZINC:

ZINC000028572273

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).