BioLiP

PDB

BioLiP

PDB CCD ID:

AGM

Number of entries in BioLiP:

Chemical formula:

C7 H17 N4 O2

InChI:

InChI=1S/C7H16N4O2/c1-4(11-7(9)10)2-3-5(8)6(12)13/h4-5H,2-3,8H2,1H3,(H,12,13)(H4,9,10,11)/p+1/t4-,5-/m0/s1

InChIKey:

AATIXZODJZMQQA-WHFBIAKZSA-O

SMILES:

Software	SMILES
CACTVS 3.341	C[C@@H](CC[C@H](N)C(O)=O)NC(N)=[NH2+]
OpenEye OEToolkits 1.5.0	C[C@@H](CC[C@@H](C(=O)O)N)NC(=[NH2+])N
OpenEye OEToolkits 1.5.0	CC(CCC(C(=O)O)N)NC(=[NH2+])N
CACTVS 3.341	C[CH](CC[CH](N)C(O)=O)NC(N)=[NH2+]
ACDLabs 10.04	O=C(O)C(N)CCC(N\C(=[NH2+])N)C

Name:

5-METHYL-ARGININE

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).