PP9

PROTOPORPHYRIN IX

Created:	1999-07-08
Last modified:	2011-06-04

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11 entries where PP9 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	76
Chiral Atom Count	0
Bond Count	80
Aromatic Bond Count	22

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Chemical Component Summary
Name	PROTOPORPHYRIN IX
Systematic Name (OpenEye OEToolkits)	n/a
Formula	C₃₄ H₃₄ N₄ O₄
Molecular Weight	562.658
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CCc5c2nc(cc4nc(cc1c(c(\C=C)c(n1)cc3nc(c2)C(=C3C)CCC(=O)O)C)C(\C=C)=C4C)c5C
SMILES	CACTVS	3.341	Cc1c2[nH]c(cc3nc(cc4[nH]c(cc5nc(c2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(O)=O)c1CCC(O)=O
SMILES	OpenEye OEToolkits	1.5.0	Cc1c2cc3nc(cc4c(c(c([nH]4)cc5nc(cc(c1CCC(=O)O)[nH]2)C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C
Canonical SMILES	CACTVS	3.341	Cc1c2[nH]c(cc3nc(cc4[nH]c(cc5nc(c2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(O)=O)c1CCC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1c2\cc\3/nc(\cc/4\c(c(/c(/[nH]4)c/c5n/c(c\c(c1CCC(=O)O)[nH]2)/C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C
InChI	InChI	1.03	InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-
InChIKey	InChI	1.03	FEDYMSUPMFCVOD-UJJXFSCMSA-N

Drug Info: DrugBank

DrugBank ID	DB02285
Name	Protoporphyrin
Groups	experimental
Synonyms	Protoporphyrin IX Protoporphyrin
Categories	Biological Factors Dermatologicals Heterocyclic Compounds, Fused-Ring Photosensitizing Agents Pigments, Biological Porphyrins Radiation-Sensitizing Agents
CAS number	553-12-8

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Ferritin light chain	MSSQIRQNYSTDVEAAVNSLVNLYLQASYTYLSLGFYFDRDDVALEGVSH...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682