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BioLiP

PDB CCD ID: POR
Number of entries in BioLiP: 1
Chemical formula: C20 H12 Fe N4
InChI: InChI=1S/C20H12N4.Fe/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;/h1-12H;/q-2;+2/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;
InChIKey: XVFTZEQSXCJEIQ-QDJBTJTOSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2n3c1C=C4C=CC5=[N]4[Fe]36[N]7=C(C=CC7=C2)C=C8N6C(=C5)C=C8
CACTVS 3.385[Fe]1n2c3ccc2C=C4C=CC(=N4)C=C5C=CC(=CC6=NC(=C3)C=C6)N15
Name:PORPHYRIN FE(III)
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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