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BioLiP

PDB CCD ID: 3AR
Number of entries in BioLiP: 5
Chemical formula: C9 H21 N4 O2
InChI: InChI=1S/C9H20N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13)/p+1/t7-/m0/s1
InChIKey: AOMXURITGZJPKB-ZETCQYMHSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCNC(=[NH2+])NCCC[C@@H](C(=O)O)N
CACTVS 3.341CCCNC(=[NH2+])NCCC[CH](N)C(O)=O
CACTVS 3.341CCCNC(=[NH2+])NCCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CCCNC(=[NH2+])NCCCC(C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CCCN\C(=[NH2+])NCCC
Name:N-OMEGA-PROPYL-L-ARGININE
DrugBank: DB02644
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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