SEQ2FUN

BioLiP

PDB CCD ID: R9F
Number of entries in BioLiP: 2
Chemical formula: C10 H7 F N4
InChI: InChI=1S/C10H7FN4/c11-5-1-2-6-7(3-5)15-10-8(6)9(12)13-4-14-10/h1-4H,(H3,12,13,14,15)
InChIKey: LFMLBPCSGKLSSW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1ncnc2[nH]c3cc(F)ccc3c12
ACDLabs 12.01Fc1ccc2c(c1)[NH]c1ncnc(N)c21
OpenEye OEToolkits 2.0.7c1cc2c(cc1F)[nH]c3c2c(ncn3)N
Name:7-fluoro-9H-pyrimido[4,5-b]indol-4-amine
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).