BioLiP

PDB

BioLiP

PDB CCD ID:

34F

Number of entries in BioLiP:

Chemical formula:

C10 H12 Cl2 N O5 P

InChI:

InChI=1S/C10H12Cl2NO5P/c11-8-2-1-7(5-9(8)12)10(19(16,17)18)3-4-13(15)6-14/h1-2,5-6,10,15H,3-4H2,(H2,16,17,18)/t10-/m0/s1

InChIKey:

AJGPMMOCRYQLNY-JTQLQIEISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.6.1	c1cc(c(cc1[C@H](CCN(C=O)O)P(=O)(O)O)Cl)Cl
OpenEye OEToolkits 1.6.1	c1cc(c(cc1C(CCN(C=O)O)P(=O)(O)O)Cl)Cl
CACTVS 3.352	ON(CC[C@@H](c1ccc(Cl)c(Cl)c1)[P](O)(O)=O)C=O
CACTVS 3.352	ON(CC[CH](c1ccc(Cl)c(Cl)c1)[P](O)(O)=O)C=O

Name:

(1S)-1-(3,4-DICHLOROPHENYL)-3-[FORMYL(HYDROXY)AMINO]PROPYL}PHOSPHONIC ACID

ZINC:

ZINC000028572271

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).