BioLiP

PDB

BioLiP

PDB CCD ID:

04H

Number of entries in BioLiP:

Chemical formula:

C7 H16 N4

InChI:

InChI=1S/C7H16N4/c8-4-6-2-1-3-11(5-6)7(9)10/h6H,1-5,8H2,(H3,9,10)/t6-/m0/s1

InChIKey:

KCFNKNPGJGJUPV-LURJTMIESA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC[C@@H]1CCCN(C1)C(N)=N
OpenEye OEToolkits 1.9.2	C1CC(CN(C1)C(=N)N)CN
ACDLabs 12.01	[N@H]=C(N)N1CCCC(CN)C1
CACTVS 3.385	NC[CH]1CCCN(C1)C(N)=N
OpenEye OEToolkits 1.9.2	[H]/N=C(\N)/N1CCC[C@H](C1)CN

Name:

(3S)-3-(aminomethyl)piperidine-1-carboximidamide

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).