BioLiP

PDB

BioLiP

PDB CCD ID:

BWU

Number of entries in BioLiP:

Chemical formula:

C44 H28 Co N4

InChI:

InChI=1S/C44H28N4.Co/c1-5-13-29(14-6-1)41-37-25-21-33(45-37)34-23-27-39(47-34)43(31-17-9-3-10-18-31)44(32-19-11-4-12-20-32)40-28-24-36(48-40)35-22-26-38(46-35)42(41)30-15-7-2-8-16-30;/h1-28H;/q-2;+2/b34-33-,36-35-,41-37-,42-38-,42-41-,43-39-,44-40-,44-43-;

InChIKey:

PWICVPBSZDUOSZ-LIDSSYNJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc(cc1)C2=C(C3=[N]4C(=C5C=CC6=C(C(=C7C=CC8=[N]7[Co]4(N56)n9c8ccc92)c1ccccc1)c1ccccc1)C=C3)c1ccccc1
CACTVS 3.385	[Co]1n2c3ccc2C(=C(c4ccccc4)C5=NC(=C6C=CC(=C(c7ccccc7)C(=C8C=CC3=N8)c9ccccc9)[N]16)C=C5)c%10ccccc%10
CACTVS 3.385	[Co]1n2c3ccc2C(=C(c4ccccc4)C5=NC(=C6C=CC(=C(c7ccccc7)C(=C8C=CC3=N8)c9ccccc9)[N@]16)C=C5)c%10ccccc%10

Name:

Tetraphenylporphycene contating cobalt;
Co-9,10,19,20-Tetraphenylporphycene

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).