BioLiP

PDB

BioLiP

PDB CCD ID:

O7U

Number of entries in BioLiP:

Chemical formula:

C3 H6 N3 O2 P

InChI:

InChI=1S/C3H6N3O2P/c4-9(8)2-1-5-3(7)6-9/h1-2H,(H4,4,5,6,7,8)/t9-/m1/s1

InChIKey:

GGLLBAYBJJLFCT-SECBINFHSA-N

SMILES:

Software	SMILES
CACTVS 3.370	N[P@@]1(=O)NC(=O)NC=C1
OpenEye OEToolkits 1.7.0	C1=C[P@](=O)(NC(=O)N1)N
CACTVS 3.370	N[P]1(=O)NC(=O)NC=C1
OpenEye OEToolkits 1.7.0	C1=CP(=O)(NC(=O)N1)N
ACDLabs 12.01	O=C1NC=CP(=O)(N)N1

Name:

(2R)-2-amino-2,5-dihydro-1,5,2-diazaphosphinin-6(1H)-one 2-oxide

ZINC:

ZINC000006158059

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).