SEQ2FUN

BioLiP

PDB CCD ID: ZME
Number of entries in BioLiP: 1
Chemical formula: C10 H9 N5
InChI: InChI=1S/C10H9N5/c1-7-2-3-15(4-7)10-8-9(12-5-11-8)13-6-14-10/h2-6H,1H3,(H,11,12,13,14)
InChIKey: BCVQNVIMHTYJMD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccn(c1)c2ncnc3[nH]cnc23
OpenEye OEToolkits 2.0.4Cc1ccn(c1)c2c3c([nH]cn3)ncn2
ACDLabs 12.01Cc1ccn(c1)c2c3c(ncn2)ncn3
Name:6-(3-methyl-1H-pyrrol-1-yl)-9H-purine
ZINC: ZINC000238509705
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).