SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C5 H7 N5 O3

InChI:

InChI=1S/C5H7N5O3/c1-7-3-2(10(12)13)4(11)9-5(6)8-3/h1H3,(H4,6,7,8,9,11)

InChIKey:

NMCMUSAXKISTKW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CNC1=C(C(=O)NC(=N1)N)[N+](=O)[O-]
CACTVS 3.341	CNC1=C(C(=O)NC(=N1)N)[N+]([O-])=O
ACDLabs 10.04	O=C1C([N+]([O-])=O)=C(N=C(N)N1)NC

Name:

6-METHYLAMINO-5-NITROISOCYTOSINE

ChEMBL:

DrugBank:

ZINC:

ZINC000018086542

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).