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BioLiP

PDB CCD ID: 734
Number of entries in BioLiP: 2
Chemical formula: C19 H14 Cl N3 O2
InChI: InChI=1S/C19H14ClN3O2/c20-14-11-13(19(24)18-12(14)5-3-9-22-18)17(15-6-4-10-25-15)23-16-7-1-2-8-21-16/h1-11,17,24H,(H,21,23)/t17-/m1/s1
InChIKey: SZEZEZHDZJZXEC-QGZVFWFLSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccnc(c1)NC(c2ccco2)c3cc(c4cccnc4c3O)Cl
CACTVS 3.370Oc1c(cc(Cl)c2cccnc12)[C@@H](Nc3ccccn3)c4occc4
ACDLabs 12.01Clc1cc(c(O)c2ncccc12)C(Nc3ncccc3)c4occc4
OpenEye OEToolkits 1.7.0c1ccnc(c1)N[C@@H](c2ccco2)c3cc(c4cccnc4c3O)Cl
CACTVS 3.370Oc1c(cc(Cl)c2cccnc12)[CH](Nc3ccccn3)c4occc4
Name:5-chloro-7-[(R)-furan-2-yl(pyridin-2-ylamino)methyl]quinolin-8-ol
ZINC: ZINC000019849878
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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