BioLiP

PDB

BioLiP

PDB CCD ID:

7OH

Number of entries in BioLiP:

Chemical formula:

C40 H24 Fe N8

InChI:

InChI=1S/C40H24N8.Fe/c1-2-30-38(26-11-19-42-20-12-26)32-5-6-34(47-32)40(28-15-23-44-24-16-28)36-8-7-35(48-36)39(27-13-21-43-22-14-27)33-4-3-31(46-33)37(29(1)45-30)25-9-17-41-18-10-25;/h1-24H;/q-2;+2/b37-29-,37-31-,38-30-,38-32-,39-33-,39-35-,40-34-,40-36-;

InChIKey:

DUVWLFDRXHMGJM-GFPSKMGBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2n3c1C(=C4C=CC5=[N]4[Fe]36N7C(=C5c8ccncc8)C=CC7=C(C9=[N]6C(=C2c1ccncc1)C=C9)c1ccncc1)c1ccncc1
CACTVS 3.385	[Fe]1N2C3=C(c4ccncc4)C5=NC(=C(c6ccncc6)c7ccc(n17)C(=C8C=CC(=N8)C(=C2C=C3)c9ccncc9)c%10ccncc%10)C=C5

Name:

Fe-Tetra(4-pyridyl)porphyrin

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).