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BioLiP

PDB CCD ID: AIS
Number of entries in BioLiP: 2
Chemical formula: C8 H13 N3 O4
InChI: InChI=1S/C8H13N3O4/c9-5-1-10-3-11(5)8-7(14)6(13)4(2-12)15-8/h1,3-4,6-8,12-14H,2,9H2/t4-,6-,7-,8-/m1/s1
InChIKey: NKYAAYKKNSYIIW-XVFCMESISA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04n1cc(n(c1)C2OC(C(O)C2O)CO)N
CACTVS 3.341Nc1cncn1[CH]2O[CH](CO)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0c1c(n(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N
CACTVS 3.341Nc1cncn1[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0c1c(n(cn1)C2C(C(C(O2)CO)O)O)N
Name:5-AMINOIMIDAZOLE RIBONUCLEOSIDE
DrugBank: DB04568
ZINC: ZINC000005955037
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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