BioLiP

PDB

BioLiP

PDB CCD ID:

PT0

Number of entries in BioLiP:

Chemical formula:

C9 H20 N O4 P

InChI:

InChI=1S/C9H20NO4P/c1-4-14-9(11)6-15(12,13)8(10)5-7(2)3/h7-8H,4-6,10H2,1-3H3,(H,12,13)/t8-/m1/s1

InChIKey:

SJWYOBZTQADRCY-MRVPVSSYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	CCOC(=O)CP(=O)(C(CC(C)C)N)O
ACDLabs 12.01	O=P(O)(C(N)CC(C)C)CC(=O)OCC
CACTVS 3.370	CCOC(=O)C[P](O)(=O)[CH](N)CC(C)C
CACTVS 3.370	CCOC(=O)C[P](O)(=O)[C@@H](N)CC(C)C
OpenEye OEToolkits 1.7.0	CCOC(=O)C[P@](=O)([C@H](CC(C)C)N)O

Name:

(R)-[(1R)-1-amino-3-methylbutyl](2-ethoxy-2-oxoethyl)phosphinic acid

ZINC:

ZINC000098209321

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).