BioLiP

PDB

BioLiP

PDB CCD ID:

OPR

Number of entries in BioLiP:

Chemical formula:

C9 H18 N4 O3

InChI:

InChI=1S/C9H18N4O3/c10-6(2-1-5-13-9(11)12)7(14)3-4-8(15)16/h6H,1-5,10H2,(H,15,16)(H4,11,12,13)/t6-/m0/s1

InChIKey:

AVCUSSJSPSVBEK-LURJTMIESA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(C(N)CCCNC(=[N@H])N)CCC(=O)O
CACTVS 3.370	N[CH](CCCNC(N)=N)C(=O)CCC(O)=O
CACTVS 3.370	N[C@@H](CCCNC(N)=N)C(=O)CCC(O)=O
OpenEye OEToolkits 1.7.0	C(CC(C(=O)CCC(=O)O)N)CNC(=N)N
OpenEye OEToolkits 1.7.0	[H]/N=C(\N)/NCCC[C@@H](C(=O)CCC(=O)O)N

Name:

(5S)-5-amino-8-carbamimidamido-4-oxooctanoic acid

ZINC:

ZINC000098209271

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).