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BioLiP

PDB CCD ID: HE5
Number of entries in BioLiP: 2
Chemical formula: C32 H34 N4 O4 Zn
InChI: InChI=1S/C32H34N4O4.Zn/c1-17-11-22-14-27-19(3)23(7-9-31(37)39-5)29(35-27)16-30-24(8-10-32(38)40-6)20(4)28(36-30)15-26-18(2)12-21(34-26)13-25(17)33-22;/h12-17H,7-11H2,1-6H3;/q-4;+4/b22-14-,25-13-,28-15-,30-16-;
InChIKey: QTRUNGZFGQPYEG-XPUTWRDZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1cc2n3c1C=C4C(=C(C5=Cc6c(c(c7n6[Zn@@]3(N45)N8C(=C7)CC(C8=C2)C)C)CCC(=O)OC)CCC(=O)OC)C
CACTVS 3.341COC(=O)CCc1c(C)c2C=C3C[CH](C)C4=Cc5cc(C)c6C=C7N8C(=Cc1n2[Zn]8(N34)n56)C(=C7C)CCC(=O)OC
OpenEye OEToolkits 1.5.0Cc1cc2n3c1C=C4C(=C(C5=Cc6c(c(c7n6[Zn]3(N45)N8C(=C7)CC(C8=C2)C)C)CCC(=O)OC)CCC(=O)OC)C
CACTVS 3.341COC(=O)CCc1c(C)c2C=C3C[C@H](C)C4=Cc5cc(C)c6C=C7N8C(=Cc1n2[Zn]8(N34)n56)C(=C7C)CCC(=O)OC
Name:ZINC(II)-DEUTEROPORPHYRIN DIMETHYLESTER;
ZND-DME
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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