BioLiP

PDB

BioLiP

PDB CCD ID:

73N

Number of entries in BioLiP:

Chemical formula:

C7 H14 N4 O4

InChI:

InChI=1S/C7H14N4O4/c8-6(9)10-3-1-2-4(5(12)13)11-7(14)15/h4,11H,1-3H2,(H,12,13)(H,14,15)(H4,8,9,10)/t4-/m0/s1

InChIKey:

YSAVLQWBPUIBPN-BYPYZUCNSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC(=N)NCCC[CH](NC(O)=O)C(O)=O
OpenEye OEToolkits 2.0.5	[H]/N=C(\N)/NCCC[C@@H](C(=O)O)NC(=O)O
OpenEye OEToolkits 2.0.5	C(CC(C(=O)O)NC(=O)O)CNC(=N)N
CACTVS 3.385	NC(=N)NCCC[C@H](NC(O)=O)C(O)=O

Name:

(2~{S})-5-carbamimidamido-2-(carboxyamino)pentanoic acid

ZINC:

ZINC000584905261

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).