SEQ2FUN

BioLiP

PDB CCD ID: 54K
Number of entries in BioLiP: 0
Chemical formula: C7 H8 N4
InChI: InChI=1S/C7H8N4/c1-4-2-9-7(8)6-5(4)10-3-11-6/h2-3H,1H3,(H2,8,9)(H,10,11)
InChIKey: VUSDRZRNZRBERR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2Cc1cnc(c2c1nc[nH]2)N
ACDLabs 12.01n1c(c2c(c(c1)C)ncn2)N
CACTVS 3.385Cc1cnc(N)c2[nH]cnc12
Name:7-methyl-3H-imidazo[4,5-c]pyridin-4-amine;
3-deaza-3-methyladenine
ZINC: ZINC000089203276
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).