BioLiP

PDB

BioLiP

PDB CCD ID:

3AR

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCCNC(=[NH2+])NCCC[C@@H](C(=O)O)N
CACTVS 3.341	CCCNC(=[NH2+])NCCC[CH](N)C(O)=O
CACTVS 3.341	CCCNC(=[NH2+])NCCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0	CCCNC(=[NH2+])NCCCC(C(=O)O)N
ACDLabs 10.04	O=C(O)C(N)CCCN\C(=[NH2+])NCCC

Name:

N-OMEGA-PROPYL-L-ARGININE

DrugBank:

DB02644

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).