BioLiP

PDB

BioLiP

PDB CCD ID:

ARV

Number of entries in BioLiP:

Chemical formula:

C9 H19 N4 O2

InChI:

InChI=1S/C9H18N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h2,7H,1,3-6,10H2,(H,14,15)(H3,11,12,13)/p+1/t7-/m0/s1

InChIKey:

ZPQWZDPOLXVMOU-ZETCQYMHSA-O

SMILES:

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

Name:

5-N-ALLYL-ARGININE

DrugBank:

DB03892

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).