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BioLiP Library

PDB CCD ID: 7BU
Number of entries in BioLiP: 5
Chemical formula: C24 H8 F12 N4 Zn
InChI: InChI=1S/C24H8F12N4.Zn/c25-21(26,27)17-9-1-2-10(37-9)18(22(28,29)30)12-5-6-14(39-12)20(24(34,35)36)16-8-7-15(40-16)19(23(31,32)33)13-4-3-11(17)38-13;/h1-8H;/q-2;+2/b17-9+,17-11+,18-10+,18-12+,19-13+,19-15+,20-14+,20-16+;
InChIKey: HVSFTYLFHSNRAZ-HQJDZOCDSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N51C6=C(C8=N2C(=C(C(F)(F)F)c4ccc3C(C(F)(F)F)=C7N([Zn]12n34)=C(C(=C5C=C6)C(F)(F)F)C=C7)C=C8)C(F)(F)F
OpenEye OEToolkits 2.0.6c1cc2n3c1C(=C4C=CC5=[N]4[Zn]36N7C(=C5C(F)(F)F)C=CC7=C(C8=[N]6C(=C2C(F)(F)F)C=C8)C(F)(F)F)C(F)(F)F
CACTVS 3.385FC(F)(F)C1=C2C=CC3=C(C4=NC(=C(c5ccc(n5[Zn]N23)C(=C6C=CC1=N6)C(F)(F)F)C(F)(F)F)C=C4)C(F)(F)F
Name:[5,10,15,20-tetrakis(trifluoromethyl)porphyrinato(2-)-kappa~4~N~21~,N~22~,N~23~,N~24~]zinc;
[5,10,15,20-Tetrakis(trifluoromethyl)porphinato]zinc(II)
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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