BioLiP

PDB

BioLiP

PDB CCD ID:

MAI

Number of entries in BioLiP:

Chemical formula:

C7 H18 N4 O

InChI:

InChI=1S/C7H18N4O/c1-5(12)6(8)3-2-4-11-7(9)10/h5-6,12H,2-4,8H2,1H3,(H4,9,10,11)/t5-,6+/m1/s1

InChIKey:

SWSXAPDUHMOBQP-RITPCOANSA-N

SMILES:

Software	SMILES
CACTVS 3.341	C[CH](O)[CH](N)CCCNC(N)=N
CACTVS 3.341	C[C@@H](O)[C@@H](N)CCCNC(N)=N
OpenEye OEToolkits 1.5.0	C[C@H]([C@H](CCCNC(=N)N)N)O
ACDLabs 10.04	[N@H]=C(NCCCC(N)C(O)C)N
OpenEye OEToolkits 1.5.0	CC(C(CCCNC(=N)N)N)O

Name:

DEOXO-METHYLARGININE

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).