BioLiP

PDB

BioLiP

PDB CCD ID:

R9X

Number of entries in BioLiP:

Chemical formula:

C21 H30 N O4 P

InChI:

InChI=1S/C21H30NO4P/c1-2-3-4-5-6-7-8-16-20(23)22-21(27(24,25)26)19-15-11-13-17-12-9-10-14-18(17)19/h9-15,21H,2-8,16H2,1H3,(H,22,23)(H2,24,25,26)/t21-/m1/s1

InChIKey:

QQNUSDSQHYRTKZ-OAQYLSRUSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCCCCCCCC(=O)N[C@@H](c1cccc2ccccc12)[P](O)(O)=O
OpenEye OEToolkits 2.0.7	CCCCCCCCCC(=O)N[C@@H](c1cccc2c1cccc2)P(=O)(O)O
OpenEye OEToolkits 2.0.7	CCCCCCCCCC(=O)NC(c1cccc2c1cccc2)P(=O)(O)O
CACTVS 3.385	CCCCCCCCCC(=O)N[CH](c1cccc2ccccc12)[P](O)(O)=O

Name:

[(R)-(decanoylamino)-naphthalen-1-yl-methyl]phosphonic acid

ZINC:

ZINC000071341888

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).