SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C6 H15 N5

InChI:

InChI=1S/C6H15N5/c1-2-3-4-10-6(9)11-5(7)8/h2-4H2,1H3,(H6,7,8,9,10,11)

InChIKey:

XSEUMFJMFFMCIU-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.6	CCCCNC(=N)N=C(N)N
ACDLabs 12.01	C(C)CCN\C(=N)\N=C(/N)N
OpenEye OEToolkits 2.0.6	[H]/N=C(\NCCCC)/N=C(N)N

Name:

N-butyl-N'-(diaminomethylidene)guanidine;
Buformin

ChEMBL:

DrugBank:

ZINC:

ZINC000004097425

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).