BioLiP

PDB

BioLiP

PDB CCD ID:

2BF

Number of entries in BioLiP:

Chemical formula:

C14 H16 N O3 P

InChI:

InChI=1S/C14H16NO3P/c16-19(17,18)14(13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-10,14-15H,11H2,(H2,16,17,18)/t14-/m1/s1

InChIKey:

SLMGIUOAZCYKPE-CQSZACIVSA-N

SMILES:

Software	SMILES
CACTVS 3.341	O[P](O)(=O)[C@@H](NCc1ccccc1)c2ccccc2
CACTVS 3.341	O[P](O)(=O)[CH](NCc1ccccc1)c2ccccc2
OpenEye OEToolkits 1.5.0	c1ccc(cc1)CNC(c2ccccc2)P(=O)(O)O
OpenEye OEToolkits 1.5.0	c1ccc(cc1)CN[C@@H](c2ccccc2)P(=O)(O)O
ACDLabs 10.04	O=P(O)(O)C(NCc1ccccc1)c2ccccc2

Name:

ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID

ChEMBL:

CHEMBL1186230

DrugBank:

DB03577

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).