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BioLiP

PDB CCD ID: N0Z
Number of entries in BioLiP: 4
Chemical formula: C10 H9 N5 O
InChI: InChI=1S/C10H9N5O/c11-8-7-5-3-4(16)1-2-6(5)13-9(7)15-10(12)14-8/h1-3,16H,(H5,11,12,13,14,15)
InChIKey: QPHUIBRHCXZODB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1nc(N)c2c([nH]c3ccc(O)cc23)n1
OpenEye OEToolkits 2.0.7c1cc2c(cc1O)c3c(nc(nc3[nH]2)N)N
Name:2,4-bis(azanyl)-9~{H}-pyrimido[4,5-b]indol-6-ol
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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