BioLiP

PDB

BioLiP

PDB CCD ID:

IPP

Number of entries in BioLiP:

Chemical formula:

C9 H11 I N O3 P

InChI:

InChI=1S/C9H11INO3P/c10-8-3-1-7(2-4-8)5-9(12)11-6-15(13)14/h1-4,15H,5-6H2,(H,11,12)(H,13,14)

InChIKey:

NJMHQBSYSLWOQF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc(ccc1CC(=O)NC[P@H](=O)O)I
CACTVS 3.341	O[P@@H](=O)CNC(=O)Cc1ccc(I)cc1
OpenEye OEToolkits 1.5.0	c1cc(ccc1CC(=O)NCP(=O)O)I
CACTVS 3.341	O[PH](=O)CNC(=O)Cc1ccc(I)cc1
ACDLabs 10.04	Ic1ccc(cc1)CC(=O)NCP(=O)O

Name:

(P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACID

DrugBank:

DB04123

ZINC:

ZINC000003870423

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).