BioLiP

PDB

BioLiP

PDB CCD ID:

KF2

Number of entries in BioLiP:

Chemical formula:

C16 H26 N O3 P

InChI:

InChI=1S/C16H26NO3P/c1-13(2)10-15(11-18)12-21(19,20)16(17)9-8-14-6-4-3-5-7-14/h3-7,11,13,15-16H,8-10,12,17H2,1-2H3,(H,19,20)/t15-,16+/m0/s1

InChIKey:

BKGUIDRBICTAMS-JKSUJKDBSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)C[CH](C[P](O)(=O)[CH](N)CCc1ccccc1)C=O
CACTVS 3.385	CC(C)C[C@H](C[P](O)(=O)[C@@H](N)CCc1ccccc1)C=O
OpenEye OEToolkits 2.0.7	CC(C)CC(CP(=O)(C(CCc1ccccc1)N)O)C=O
OpenEye OEToolkits 2.0.7	CC(C)C[C@H](CP(=O)([C@H](CCc1ccccc1)N)O)C=O

Name:

[(1~{R})-1-azanyl-3-phenyl-propyl]-[(2~{S})-2-methanoyl-4-methyl-pentyl]phosphinic acid

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).