BioLiP

PDB

BioLiP

PDB CCD ID:

RPN

Number of entries in BioLiP:

Chemical formula:

C8 H8 N4 O3

InChI:

InChI=1S/C8H8N4O3/c9-11-10-5-8(13)6-1-3-7(4-2-6)12(14)15/h1-4,8,13H,5H2/t8-/m0/s1

InChIKey:

DHEGJYKMZJGYGW-QMMMGPOBSA-N

SMILES:

Software	SMILES
CACTVS 3.341	O[C@@H](CN=[N+]=[N-])c1ccc(cc1)[N+]([O-])=O
CACTVS 3.341	O[CH](CN=[N+]=[N-])c1ccc(cc1)[N+]([O-])=O
OpenEye OEToolkits 1.5.0	c1cc(ccc1C(CN=[N+]=[N-])O)[N+](=O)[O-]
OpenEye OEToolkits 1.5.0	c1cc(ccc1[C@H](CN=[N+]=[N-])O)[N+](=O)[O-]
ACDLabs 10.04	[O-][N+](=O)c1ccc(cc1)C(O)C/N=[N+]=[N-]

Name:

(R)-1-PARA-NITRO-PHENYL-2-AZIDO-ETHANOL

DrugBank:

DB04472

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).