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BioLiP

PDB CCD ID: PFP
Number of entries in BioLiP: 1
Chemical formula: C22 H21 N3 O4
InChI: InChI=1S/C22H21N3O4/c1-27-16-7-3-14(4-8-16)18-19-21(23-11-12-26)24-13-25-22(19)29-20(18)15-5-9-17(28-2)10-6-15/h3-10,13,26H,11-12H2,1-2H3,(H,23,24,25)
InChIKey: ARBUGBBNEFAECO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0COc1ccc(cc1)c2c3c(ncnc3oc2c4ccc(cc4)OC)NCCO
CACTVS 3.341COc1ccc(cc1)c2oc3ncnc(NCCO)c3c2c4ccc(OC)cc4
ACDLabs 10.04n1c(c2c(nc1)oc(c2c3ccc(OC)cc3)c4ccc(OC)cc4)NCCO
Name:2-[5,6-BIS-(4-METHOXY-PHENYL)-FURO[2,3-D]PYRIMIDIN-4-YLAMINO]-ETHANOL
ChEMBL: CHEMBL190201
DrugBank: DB08392
ZINC: ZINC000002501415
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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