BioLiP

PDB

BioLiP

PDB CCD ID:

A1CCS

Number of entries in BioLiP:

Chemical formula:

C6 H15 N5 O2

InChI:

InChI=1S/C6H15N5O2/c7-6(8)10-3-1-2-4(11-9)5(12)13/h4,11H,1-3,9H2,(H,12,13)(H4,7,8,10)/t4-/m0/s1

InChIKey:

BQOFFLKXAZPNNX-BYPYZUCNSA-N

SMILES:

Software	SMILES
ACDLabs 14.52	NNC(CCCNC(=N)N)C(=O)O
OpenEye OEToolkits 3.1.0.0	C(CC(C(=O)O)NN)CNC(=N)N
CACTVS 3.385	NN[CH](CCCNC(N)=N)C(O)=O
CACTVS 3.385	NN[C@@H](CCCNC(N)=N)C(O)=O
OpenEye OEToolkits 3.1.0.0	[H]/N=C(\N)/NCCC[C@@H](C(=O)O)NN

Name:

(2S)-5-carbamimidamido-2-hydrazinylpentanoic acid

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).