SEQ2FUN

BioLiP

PDB CCD ID: PRF
Number of entries in BioLiP: 23
Chemical formula: C7 H9 N5 O
InChI: InChI=1S/C7H9N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,1,8H2,(H4,9,10,11,12,13)
InChIKey: MEYMBLGOKYDGLZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NCc1c[nH]c2N=C(N)NC(=O)c12
OpenEye OEToolkits 1.5.0c1c(c2c([nH]1)N=C(NC2=O)N)CN
ACDLabs 10.04O=C1c2c(cnc2N=C(N1)N)CN
Name:7-DEAZA-7-AMINOMETHYL-GUANINE
ChEMBL: CHEMBL1235432
DrugBank: DB03304
ZINC: ZINC000003869370
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).