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BioLiP

PDB CCD ID: FP3
Number of entries in BioLiP: 2
Chemical formula: C17 H11 Cl N4 O2
InChI: InChI=1S/C17H11ClN4O2/c18-12-3-2-10(8-13(12)23)22-15-11-4-7-19-9-14(11)24-16(15)17-20-5-1-6-21-17/h1-9,22-23H
InChIKey: XNYZWJDKGDUFBJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cnc(nc1)c2c(c3ccncc3o2)Nc4ccc(c(c4)O)Cl
ACDLabs 12.01Clc1ccc(cc1O)Nc2c4ccncc4oc2c3ncccn3
CACTVS 3.370Oc1cc(Nc2c(oc3cnccc23)c4ncccn4)ccc1Cl
Name:2-chloro-5-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}phenol
ChEMBL: CHEMBL1614963
ZINC: ZINC000064746574
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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