BioLiP

PDB

BioLiP

PDB CCD ID:

19N

Number of entries in BioLiP:

Chemical formula:

C6 H17 N4 O3 P

InChI:

InChI=1S/C6H17N4O3P/c7-5(14(11,12)13)3-1-2-4-10-6(8)9/h5H,1-4,7H2,(H4,8,9,10)(H2,11,12,13)/t5-/m1/s1

InChIKey:

GAZYHWYZAQCLLA-RXMQYKEDSA-N

SMILES:

Software	SMILES
CACTVS 3.370	N[C@@H](CCCCNC(N)=N)[P](O)(O)=O
ACDLabs 12.01	O=P(O)(O)C(N)CCCCNC(=[N@H])N
OpenEye OEToolkits 1.7.6	C(CCNC(=N)N)CC(N)P(=O)(O)O
OpenEye OEToolkits 1.7.6	[H]/N=C(\N)/NCCCC[C@H](N)P(=O)(O)O
CACTVS 3.370	N[CH](CCCCNC(N)=N)[P](O)(O)=O

Name:

[(1R)-1-amino-5-carbamimidamidopentyl]phosphonic acid

ZINC:

ZINC000096927709

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).