BioLiP

PDB

BioLiP

PDB CCD ID:

R8S

Number of entries in BioLiP:

Chemical formula:

C5 H8 N4 O

InChI:

InChI=1S/C5H8N4O/c1-10-4-2-3-7-5(8-4)9-6/h2-3H,6H2,1H3,(H,7,8,9)

InChIKey:

HXQPYFMXCAIHAB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccnc(NN)n1
OpenEye OEToolkits 2.0.6	COc1ccnc(n1)NN
ACDLabs 12.01	c1(nc(ccn1)OC)NN

Name:

2-hydrazinyl-4-methoxypyrimidine

ZINC:

ZINC000000330579

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).