SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C11 H14 Cl N5

InChI:

InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16)

InChIKey:

QMNFFXRFOJIOKZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	CC1(N=C(N=C(N1c2ccc(cc2)Cl)N)N)C
CACTVS 3.352	CC1(C)N=C(N)N=C(N)N1c2ccc(Cl)cc2
ACDLabs 11.02	Clc1ccc(cc1)N2C(=NC(=NC2(C)C)N)N

Name:

1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine;
Cycloguanil

ChEMBL:

DrugBank:

ZINC:

ZINC000000001233

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).