BioLiP

PDB

BioLiP

PDB CCD ID:

CCZ

Number of entries in BioLiP:

Chemical formula:

C14 H15 N2 O3 P

InChI:

InChI=1S/C14H15N2O3P/c15-14(16)12-8-6-11(7-9-12)10-20(17,18)19-13-4-2-1-3-5-13/h1-9H,10H2,(H3,15,16)(H,17,18)

InChIKey:

WWKGYQUWQUONHG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1ccc(cc1)OP(=O)(Cc2ccc(cc2)C(=N)N)O
CACTVS 3.370	NC(=N)c1ccc(C[P](O)(=O)Oc2ccccc2)cc1
ACDLabs 12.01	O=P(O)(Oc1ccccc1)Cc2ccc(C(=[N@H])N)cc2
OpenEye OEToolkits 1.7.0	[H]/N=C(/c1ccc(cc1)C[P@@](=O)(O)Oc2ccccc2)\N

Name:

phenyl (4-carbamimidoylbenzyl)phosphonate;
phenyl Benzamidine Phosphonate

ZINC:

ZINC000064744409

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).