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BioLiP

PDB CCD ID: ZKI
Number of entries in BioLiP: 1
Chemical formula: C17 H14 Cl2 N4 O
InChI: InChI=1S/C17H14Cl2N4O/c18-14-7-12-13(8-15(14)19)17(21-11-3-6-24-9-11)23-22-16(12)10-1-4-20-5-2-10/h1-2,4-5,7-8,11H,3,6,9H2,(H,21,23)/t11-/m1/s1
InChIKey: VPPZBKRTEZMHNH-LLVKDONJSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1cc2c(N[C@@H]3CCOC3)nnc(c4ccncc4)c2cc1Cl
ACDLabs 12.01Clc1cc2c(nnc(c3ccncc3)c2cc1Cl)NC1CCOC1
OpenEye OEToolkits 2.0.7c1cnccc1c2c3cc(c(cc3c(nn2)NC4CCOC4)Cl)Cl
OpenEye OEToolkits 2.0.7c1cnccc1c2c3cc(c(cc3c(nn2)N[C@@H]4CCOC4)Cl)Cl
CACTVS 3.385Clc1cc2c(N[CH]3CCOC3)nnc(c4ccncc4)c2cc1Cl
Name:6,7-dichloro-N-[(3R)-oxolan-3-yl]-4-(pyridin-4-yl)phthalazin-1-amine
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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