BioLiP

PDB

BioLiP

PDB CCD ID:

0FA

Number of entries in BioLiP:

Chemical formula:

C6 H15 N2 O4 P

InChI:

InChI=1S/C6H15N2O4P/c1-4(2)3-5(6(7)9)8-13(10,11)12/h4-5H,3H2,1-2H3,(H2,7,9)(H3,8,10,11,12)/t5-/m0/s1

InChIKey:

LHNDGZQCKJAVRF-YFKPBYRVSA-N

SMILES:

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

Name:

N~2~-phosphono-L-leucinamide

ChEMBL:

CHEMBL47541

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).