BioLiP

PDB

BioLiP

PDB CCD ID:

G35

Number of entries in BioLiP:

Chemical formula:

C9 H16 N5 O8 P

InChI:

InChI=1S/C9H16N5O8P/c10-8(11)12-6-7(16)13-9(17)14(6)5-1-3(15)4(22-5)2-21-23(18,19)20/h3-6,15H,1-2H2,(H4,10,11,12)(H,13,16,17)(H2,18,19,20)/t3-,4+,5+,6+/m0/s1

InChIKey:

IMJMAQUBWVPHQG-SLPGGIOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	C1C(C(OC1N2C(C(=O)NC2=O)NC(=N)N)COP(=O)(O)O)O
CACTVS 3.352	NC(=N)N[C@@H]1N([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)C(=O)NC1=O
OpenEye OEToolkits 1.7.0	[H]/N=C(\N)/N[C@H]1C(=O)NC(=O)N1[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O
CACTVS 3.352	NC(=N)N[CH]1N([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O

Name:

(5R)-5-carbamimidamido-1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)imidazolidine-2,4-dione

ZINC:

ZINC000058638395

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).