SEQ2FUN

BioLiP

PDB CCD ID: 03N
Number of entries in BioLiP: 0
Chemical formula: C7 H16 N4
InChI: InChI=1S/C7H16N4/c8-5-6-1-3-11(4-2-6)7(9)10/h6H,1-5,8H2,(H3,9,10)
InChIKey: PBGDGOWGZQNAHJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01[N@H]=C(N)N1CCC(CN)CC1
OpenEye OEToolkits 1.7.2[H]/N=C(\N)/N1CCC(CC1)CN
OpenEye OEToolkits 1.7.2C1CN(CCC1CN)C(=N)N
CACTVS 3.370NCC1CCN(CC1)C(N)=N
Name:4-(aminomethyl)piperidine-1-carboximidamide
ZINC: ZINC000002585674
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).