SEQ2FUN

BioLiP

PDB CCD ID: RGL
Number of entries in BioLiP: 0
Chemical formula: C6 H15 N4 O
InChI: InChI=1S/C6H14N4O/c7-5(4-11)2-1-3-10-6(8)9/h4-5H,1-3,7H2,(H4,8,9,10)/p+1/t5-/m0/s1
InChIKey: QJYRUYURLPTHLR-YFKPBYRVSA-O
SMILES:
SoftwareSMILES
CACTVS 3.352N[CH](CCCNC(N)=[NH2+])C=O
ACDLabs 10.04O=CC(N)CCCN\C(=[NH2+])N
OpenEye OEToolkits 1.6.1C(CC(C=O)N)CNC(=[NH2+])N
OpenEye OEToolkits 1.6.1C(C[C@@H](C=O)N)CNC(=[NH2+])N
CACTVS 3.352N[C@@H](CCCNC(N)=[NH2+])C=O
Name:ARGINAL
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).