SEQ2FUN

BioLiP

PDB CCD ID: Z0W
Number of entries in BioLiP: 1
Chemical formula: C10 H7 N3
InChI: InChI=1S/C10H7N3/c1-2-4-8-7(3-1)10-9(13-8)5-11-6-12-10/h1-6,13H
InChIKey: IADMQABXGAXDPF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n1cc3c(nc1)c2c(cccc2)n3
OpenEye OEToolkits 1.9.2c1ccc2c(c1)c3c([nH]2)cncn3
CACTVS 3.385[nH]1c2ccccc2c3ncncc13
Name:5H-pyrimido[5,4-b]indole
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).