BioLiP

PDB

BioLiP

PDB CCD ID:

AIR

Number of entries in BioLiP:

Chemical formula:

C8 H14 N3 O7 P

InChI:

InChI=1S/C8H14N3O7P/c9-5-1-10-3-11(5)8-7(13)6(12)4(18-8)2-17-19(14,15)16/h1,3-4,6-8,12-13H,2,9H2,(H2,14,15,16)/t4-,6-,7-,8-/m1/s1

InChIKey:

PDACUKOKVHBVHJ-XVFCMESISA-N

SMILES:

Software	SMILES
CACTVS 3.341	Nc1cncn1[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0	c1c(n(cn1)C2C(C(C(O2)COP(=O)(O)O)O)O)N
OpenEye OEToolkits 1.5.0	c1c(n(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N
ACDLabs 10.04	O=P(O)(O)OCC2OC(n1cncc1N)C(O)C2O
CACTVS 3.341	Nc1cncn1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O

Name:

5-AMINOIMIDAZOLE RIBONUCLEOTIDE

ChEMBL:

CHEMBL1230914

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).