SEQ2FUN

BioLiP

PDB CCD ID: EA1
Number of entries in BioLiP: 2
Chemical formula: C7 H5 N5
InChI: InChI=1S/C7H5N5/c1-2-12-4-11-6-5(7(12)8-1)9-3-10-6/h1-4H,(H,9,10)
InChIKey: OGVOXGPIHFKUGM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04n2cnc3ncn1c(ncc1)c23
OpenEye OEToolkits 1.5.0c1cn2cnc3c(c2n1)nc[nH]3
CACTVS 3.341[nH]1cnc2c1ncn3ccnc23
Name:3H-IMIDAZO[2,1-I]PURINE;
1,N6-ETHENOADENINE
DrugBank: DB01952
ZINC: ZINC000012501389
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).