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BioLiP Library

PDB CCD ID: PFQ
Number of entries in BioLiP: 2
Chemical formula: C20 H17 N3 O2
InChI: InChI=1S/C20H17N3O2/c24-12-11-21-19-17-16(14-7-3-1-4-8-14)18(15-9-5-2-6-10-15)25-20(17)23-13-22-19/h1-10,13,24H,11-12H2,(H,21,22,23)
InChIKey: UQHINZSKNAAVOZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OCCNc1ncnc2oc(c3ccccc3)c(c4ccccc4)c12
ACDLabs 10.04n1c(c2c(nc1)oc(c2c3ccccc3)c4ccccc4)NCCO
OpenEye OEToolkits 1.5.0c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCO
Name:2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)AMINO]ETHANOL
ChEMBL: CHEMBL189434
DrugBank: DB08393
ZINC: ZINC000001803337
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)(download the PDF file).
  • 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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