BioLiP

PDB

BioLiP

PDB CCD ID:

FXT

Number of entries in BioLiP:

Chemical formula:

C7 H18 N6

InChI:

InChI=1S/C7H18N6/c8-6(9)12-4-2-1-3-5-13-7(10)11/h1-5H2,(H4,8,9,12)(H4,10,11,13)

InChIKey:

FIHKQNOFFQZHRM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	[H]/N=C(/N)\NCCCCCNC(=N)N
CACTVS 3.385	NC(=N)NCCCCCNC(N)=N
OpenEye OEToolkits 2.0.6	C(CCNC(=N)N)CCNC(=N)N

Name:

1-(5-carbamimidamidopentyl)guanidine

ChEMBL:

CHEMBL101996

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).