SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C11 H17 N5 O2

InChI:

InChI=1S/C11H17N5O2/c12-9-8(16-17)10(15-11(13)14-9)18-6-7-4-2-1-3-5-7/h7H,1-6H2,(H4,12,13,14,15)

InChIKey:

DGWXOLHKVGDQLN-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=Nc2c(OCC1CCCCC1)nc(nc2N)N
CACTVS 3.341	Nc1nc(N)c(N=O)c(OCC2CCCCC2)n1
OpenEye OEToolkits 1.5.0	C1CCC(CC1)COc2c(c(nc(n2)N)N)N=O

Name:

6-CYCLOHEXYLMETHYLOXY-5-NITROSO-PYRIMIDINE-2,4-DIAMINE

ChEMBL:

DrugBank:

ZINC:

ZINC000003814479

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).