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BioLiP

PDB CCD ID: 7HX
Number of entries in BioLiP: 3
Chemical formula: C6 H5 N3 O
InChI: InChI=1S/C6H5N3O/c10-6-4-1-2-7-5(4)8-3-9-6/h1-3H,(H2,7,8,9,10)
InChIKey: FBMZEITWVNHWJW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1c[nH]c2c1c(ncn2)O
ACDLabs 12.01Oc1c2c(ncn1)ncc2
CACTVS 3.385Oc1ncnc2[nH]ccc12
Name:7H-pyrrolo[2,3-d]pyrimidin-4-ol
ChEMBL: CHEMBL186582
ZINC: ZINC000008638189
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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