General Information of the Protein
Protein ID
PT02205
Protein Name
Cytochrome P450 1B1
Secondarily
Protein Name
CYPIB1
Hydroperoxy icosatetraenoate dehydratase
Gene Name
CYP1B1
Sequence
MGTSLSPNDPWPLNPLSIQQTTLLLLLSVLATVHVGQRLLRQRRRQLRSAPPGPFAWPLIGNAAAVGQAAHLSFARLARRYGDVFQIRLGSCPIVVLNGERAIHQALVQQGSAFADRPAFASFRVVSGGRSMAFGHYSEHWKVQRRAAHSMMRNFFTRQPRSRQVLEGHVLSEARELVALLVRGSADGAFLDPRPLTVVAVANVMSAVCFGCRYSHDDPEFRELLSHNEEFGRTVGAGSLVDVMPWLQYFPNPVRTVFREFEQLNRNFSNFILDKFLRHCESLRPGAAPRDMMDAFILSAEKKAAGDSHGGGARLDLENVPATITDIFGASQDTLSTALQWLLLLFTRYPDVQTRVQAELDQVVGRDRLPCMGDQPNLPYVLAFLYEAMRFSSFVPVTIPHATTANTSVLGYHIPKDTVVFVNQWSVNHDPLKWPNPENFDPARFLDKDGLINKDLTSRVMIFSVGKRRCIGEELSKMQLFLFISILAHQCDFRANPNEPAKMNFSYGLTIKPKSFKVNVTLRESMELLDSAVQNLQAKETCQ
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Organism
Homo sapiens, Human
Protein Classification
Enzyme
>
Cytochrome P450
>
Cytochrome P450 family 1
>
Cytochrome P450 family 1B
>
Cytochrome P450 1B1
Function
A cytochrome P450 monooxygenase involved in the metabolism of various endogenous substrates, including fatty acids, steroid hormones and vitamins (PubMed:20972997, PubMed:11555828, PubMed:12865317, PubMed:10681376, PubMed:15258110). Mechanistically, uses molecular oxygen inserting one oxygen atom into a substrate, and reducing the second into a water molecule, with two electrons provided by NADPH via cytochrome P450 reductase (NADPH--hemoprotein reductase) (PubMed:20972997, PubMed:11555828, PubMed:12865317, PubMed:10681376, PubMed:15258110). Exhibits catalytic activity for the formation of hydroxyestrogens from estrone (E1) and 17beta-estradiol (E2), namely 2- and 4-hydroxy E1 and E2. Displays a predominant hydroxylase activity toward E2 at the C-4 position (PubMed:11555828, PubMed:12865317). Metabolizes testosterone and progesterone to B or D ring hydroxylated metabolites (PubMed:10426814). May act as a major enzyme for all-trans retinoic acid biosynthesis in extrahepatic tissues. Catalyzes two successive oxidative transformation of all-trans retinol to all-trans retinal and then to the active form all-trans retinoic acid (PubMed:10681376, PubMed:15258110). Catalyzes the epoxidation of double bonds of certain PUFA. Converts arachidonic acid toward epoxyeicosatrienoic acid (EpETrE) regioisomers, 8,9-, 11,12-, and 14,15- EpETrE, that function as lipid mediators in the vascular system (PubMed:20972997). Additionally, displays dehydratase activity toward oxygenated eicosanoids hydroperoxyeicosatetraenoates (HpETEs). This activity is independent of cytochrome P450 reductase, NADPH, and O2 (PubMed:21068195). Also involved in the oxidative metabolism of xenobiotics, particularly converting polycyclic aromatic hydrocarbons and heterocyclic aryl amines procarcinogens to DNA-damaging products (PubMed:10426814). Plays an important role in retinal vascular development. Under hyperoxic O2 conditions, promotes retinal angiogenesis and capillary morphogenesis, likely by metabolizing the oxygenated products generated during the oxidative stress. Also, contributes to oxidative homeostasis and ultrastructural organization and function of trabecular meshwork tissue through modulation of POSTN expression (By similarity).
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Uniprot ID
Primary ID:
Q16678

Secondarily ID:
Q5TZW8
Q93089
Q9H316
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Ensembl ID
ENSG00000138061
HGNC ID
HGNC:2597
Subcellular Location
Endoplasmic reticulum membrane
Microsome membrane
Mitochondrion
Map of Molecular Bioactivity Related to the Protein
Map of Molecular Bioactivity Related to the Protein

Protein
Cell Line
Compound

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Protein
Cell Line ID: CL000006 , HEK293
Compound ID Compound Name Compound Formula
CP0675917
1-(pyridin-4-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
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C17H17NO4
 2
1
EC50 = 10000 nM
   TI
   LI
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   TS
2
IC50 = 22 nM
   TI
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CP0853840
(E)-3-(3-Methoxyphenyl)-1-(pyridin-4-yl)prop-2-en-1-one
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C15H13NO2
 2
1
EC50 = 10000 nM
   TI
   LI
   LO
   TS
2
IC50 = 60 nM
   TI
   LI
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   TS
CP0853845
(E)-3-(2-Methoxyphenyl)-1-(pyridin-4-yl)prop-2-en-1-one
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C15H13NO2
 2
1
EC50 = 10000 nM
   TI
   LI
   LO
   TS
2
IC50 = 60 nM
   TI
   LI
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CP0862294
(E)-3-(3,5-Dimethoxyphenyl)-1-(pyridin-4-yl)prop-2-en-1-one
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C16H15NO3
 2
1
EC50 = 10000 nM
   TI
   LI
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   TS
2
IC50 = 31 nM
   TI
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CP0008198
2-(4-bromophenyl)-3H-quinazolin-4-one
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C14H9BrN2O
 1
1
IC50 = 25 nM
   TI
   LI
   LO
   TS
CP0059076
Karanjin
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C18H12O4
 1
1
IC50 = 30 nM
   TI
   LI
   LO
   TS
CP0014593
2-(4-hydroxy-3-methoxyphenyl)-3H-quinazolin-4-one
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C15H12N2O3
 1
1
IC50 = 31 nM
   TI
   LI
   LO
   TS
CP0393668
2-(4-prop-2-ynoxyphenyl)-3H-quinazolin-4-one
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C17H12N2O2
 1
1
IC50 = 32 nM
   TI
   LI
   LO
   TS
CP0038890
2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE
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C19H12O2
 2
1
IC50 = 80 nM
   TI
   LI
   LO
   TS
2
IC50 > 10000 nM
   TI
   LI
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CP0014324
2-(3&#39;-Hydroxy-4&#39;-methoxyphenyl)quinazolin-4(3H)-one (20)
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C15H12N2O3
 1
1
IC50 = 100 nM
   TI
   LI
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CP0012164
2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
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C21H14F2N2O2
 1
1
IC50 = 120 nM
   TI
   LI
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CP0014323
2-[4-(2,4-dichlorophenoxy)phenyl]-3H-quinazolin-4-one
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C20H12Cl2N2O2
 1
1
IC50 = 149 nM
   TI
   LI
   LO
   TS
CP0028925
4-(5-bromo-1H-indol-3-yl)pyrimidin-2-amine
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C12H9BrN4
 1
1
IC50 = 213 nM
   TI
   LI
   LO
   TS
CP0015067
4-methoxy-9-(3-methylbut-2-enoxy)-7-furo[3,2-g][1]benzopyranone
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C17H16O5
 1
1
IC50 = 220 nM
   TI
   LI
   LO
   TS
CP0860879
Karanjin
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C18H12O4
 1
1
IC50 = 220 nM
   TI
   LI
   LO
   TS
CP0853843
(E)-3-(3,4-Dimethoxyphenyl)-1-(pyridin-4-yl)prop-2-en-1-one
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C16H15NO3
 1
1
IC50 = 230 nM
   TI
   LI
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CP0155402
LANCEOLATIN B
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C17H10O3
 1
1
IC50 = 390 nM
   TI
   LI
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CP0862295
(E)-3-(4-Ethoxy-3,5-Dimethoxyphenyl)-1-(pyridin-4-yl)prop-2-en-1-one
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C18H19NO4
 1
1
IC50 = 610 nM
   TI
   LI
   LO
   TS
CP0347905
(E)-3-(1-naphthalenyl)-1-pyridin-4-yl-2-propen-1-one
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C18H13NO
 1
1
IC50 = 750 nM
   TI
   LI
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CP0528337
Pongapin
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C19H12O6
 1
1
IC50 = 1060 nM
   TI
   LI
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CP0471583
2-(3-hydroxyphenyl)furo[2,3-h]chromen-4-one
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C17H10O4
 1
1
IC50 = 1200 nM
   TI
   LI
   LO
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CP0471582
Ovalitenone
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C19H14O6
 1
1
IC50 = 1500 nM
   TI
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CP0373903
5-demethylsinensetin
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C19H18O7
 1
1
IC50 = 2500 nM
   TI
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CP0862273
(E)-3-(3,4-diethoxy-5-methoxyphenyl)-1-(pyridin-4-yl)prop-2-en-1-one
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C19H21NO4
 1
1
IC50 = 3070 nM
   TI
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CP0853844
(E)-3-(Benzo[d][1,3]dioxol-5-yl)-1-(pyridin-4-yl)prop-2-en-1-one
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C15H11NO3
 1
1
IC50 = 3520 nM
   TI
   LI
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CP0417815
Pongamol
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C18H14O4
 1
1
IC50 = 4500 nM
   TI
   LI
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   TS
CP0864766
(E)-3-(3-ethoxy-4,5-dimethoxyphenyl)-1-(pyridin-4-yl)prop-2-en-1-one
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C18H19NO4
 1
1
IC50 = 4760 nM
   TI
   LI
   LO
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CP0471581
4-[3-(4-methoxy-1-benzofuran-5-yl)-5-phenylpyrazol-1-yl]benzonitrile
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C25H17N3O2
 1
1
IC50 = 5700 nM
   TI
   LI
   LO
   TS
CP0891272
Pongamol
   Show/Hide
C18H14O4
 1
1
IC50 = 6040 nM
   TI
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CP0058616
5-Hydroxy-2-methyl-[1,4]naphthoquinone
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C11H8O3
 1
1
IC50 = 6150 nM
   TI
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CP0077632
ISOPIMPINELLIN
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C13H10O5
 1
1
IC50 = 6380 nM
   TI
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CP0572165
Pongaglabrone
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C18H10O5
 1
1
IC50 = 6800 nM
   TI
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CP0860867
6-Methoxy chelerythrine
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C22H21NO5
 1
1
IC50 = 7700 nM
   TI
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CP0804592
(E)-1-(Pyridin-4-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
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C17H17NO4
 1
1
IC50 = 8180 nM
   TI
   LI
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CP0801592
3-(4-methoxyphenyl)-1-(pyridin-4-yl)prop-2-en-1-one
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C15H13NO2
 1
1
IC50 = 8520 nM
   TI
   LI
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CP0853839
(E)-1-(pyridin-4-yl)-3-(3,4,5-triethoxyphenyl)prop-2-en-1-one
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C20H23NO4
 1
1
IC50 = 9920 nM
   TI
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CP0325243
5,8-Dihydroxy-[1,4]naphthoquinone
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C10H6O4
 1
1
IC50 > 10000 nM
   TI
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CP0046363
4-methoxy-7H-furo[3,2-g][1]benzopyran-7-one
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C12H8O4
 1
1
IC50 = 15300 nM
   TI
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CP0471584
4-[5-(4-methoxy-1-benzofuran-5-yl)-3-phenylpyrazol-1-yl]benzonitrile
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C25H17N3O2
 1
1
IC50 = 25500 nM
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CP0083020
Ammivin
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C14H12O5
 1
1
IC50 = 34600 nM
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Biochemical Assays
Compound ID Compound Name Compound Formula
CP0038890
2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE
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C19H12O2
 5
1 IC50 = 1.3 nM
2 IC50 = 5 nM
3 IC50 = 5.9 nM
4 IC50 = 10.6 nM
5 IC50 = 240 nM
CP0692190
2-(4-(3'-Fluoro-6,7,10-trimethoxy-a-naphthoflavonol)octyloxy)-2-oxoethanaminium Chloride
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C32H37ClFNO11
 1
1 IC50 = 12.3 nM
CP0020849
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one
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C15H10O7
 2
1 IC50 = 77 nM
2 Ki = 23 nM
Clinical Information about the Protein
Target 1 ( Cytochrome P450 1B1 (CYP1B1) )
Target Type Clinical trial Target