Protein Information

General Information of the Protein

Protein ID	PT01651
Protein Name	Dihydrofolate reductase
Gene Name	DHFR
Sequence	MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND Show/Hide
Organism	Homo sapiens, Human
Protein Classification	Enzyme > Oxidoreductase
Function	Key enzyme in folate metabolism. Contributes to the de novo mitochondrial thymidylate biosynthesis pathway. Catalyzes an essential reaction for de novo glycine and purine synthesis, and for DNA precursor synthesis. Binds its own mRNA and that of DHFR2. Show/Hide
Uniprot ID	Primary ID: P00374 Secondarily ID: B4DDD2 Q14130 Q6IRW8 Show/Hide
Ensembl ID	ENSG00000228716
HGNC ID	HGNC:2861
Subcellular Location	Mitochondrion Cytoplasm

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: CL000108 , CCRF-CEM

Cell Line Info

Compound ID	Compound Name	Compound Formula
CP0148537 Compound Info	2-[[4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]butyl]carbamoyl]benzoic acid Show/Hide	C27H27N9O6	1
1	IC50 = 1.1 nM Bioactivity Info	TI LI LO TS
CP0238793 Compound Info	(S)-2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-benzoylamino}-pentanedioic acid Show/Hide	C22H25N7O5	1
1	IC50 = 2.6 nM Bioactivity Info	TI LI LO TS
CP0053031 Compound Info	4-Aminofolic acid Show/Hide	C19H20N8O5	1
1	IC50 = 3 nM Bioactivity Info	TI LI LO TS
CP0069691 Compound Info	CHEBI:15640 Show/Hide	C20H23N7O7	1
1	Ki = 2370 nM Bioactivity Info	TI LI LO TS

Cell Line ID: CL000220 , KB

Cell Line Info

Cell Line ID: CL000266 , L1210

Cell Line Info

Cell Line ID: CL000341 , WIL2

Cell Line Info

Biochemical Assays

Compound ID	Compound Name	Compound Formula
CP0036197 Compound Info	2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioic acid Show/Hide	C20H22N8O5	39
1	IC50 = 1.2 nM
2	IC50 = 1.6 nM
3	IC50 = 1.7 nM
4	IC50 = 1.97 nM
5	IC50 = 2 nM
6	IC50 = 2.1 nM
7	IC50 = 2.7 nM
8	IC50 = 3 nM
9	IC50 = 3.9 nM
10	IC50 = 4 nM
11	IC50 = 4.3 nM
12	IC50 = 5 nM
13	IC50 = 6.67 nM
14	IC50 = 7.1 nM
15	IC50 = 7.9 nM
16	IC50 = 9 nM
17	IC50 = 11.2 nM
18	IC50 = 14.5 nM
19	IC50 = 20 nM
20	IC50 = 22 nM
21	IC50 = 24 nM
22	IC50 = 24.99 nM
23	IC50 = 25 nM
24	IC50 = 30.9 nM
25	IC50 = 32.94 nM
26	IC50 = 35 nM
27	IC50 = 38 nM
28	IC50 = 40 nM
29	IC50 = 66 nM
30	IC50 = 80 nM
31	IC50 = 83 nM
32	IC50 = 1000 nM
33	IC50 = 1500 nM
34	Ki = 0.01 nM
35	Ki = 0.038 nM
36	Ki = 0.077 nM
37	Ki = 0.11 nM
38	Ki = 0.179 nM
39	Ki = 4420 nM
CP0805382 Compound Info	2-(4-((2,4-diamino-5-chloroquinazolin-6-yl)methylamino)benzamido)pentanedioic acid Show/Hide	C21H21ClN6O5	1
1	IC50 = 3.8 nM
CP0238793 Compound Info	(S)-2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-benzoylamino}-pentanedioic acid Show/Hide	C22H25N7O5	1
1	IC50 = 4.4 nM
CP0053031 Compound Info	4-Aminofolic acid Show/Hide	C19H20N8O5	3
1	IC50 = 11.8 nM
2	IC50 = 25 nM
3	Ki = 0.21 nM
CP0148537 Compound Info	2-[[4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]butyl]carbamoyl]benzoic acid Show/Hide	C27H27N9O6	1
1	IC50 = 12.2 nM
CP0760762 Compound Info	SID144917 Show/Hide	C21H21N5O6	1
1	IC50 = 110 nM
CP0214839 Compound Info	5-Amino-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanoic acid Show/Hide	C20H25N9O3	1
1	IC50 = 160 nM
CP0688707 Compound Info	2-(4-((2-amino-4-hydroxyquinazolin-6-yl)methoxy)benzamido)pentanedioic acid Show/Hide	C21H20N4O7	1
1	IC50 = 170 nM
CP0042321 Compound Info	(S)-2-(4-(2-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioic acid Show/Hide	C20H21N5O6	2
1	IC50 = 220 nM
2	IC50 = 1000 nM
CP0039203 Compound Info	US9422297, PDDF Show/Hide	C24H23N5O6	5
1	IC50 = 300 nM
2	IC50 = 910 nM
3	IC50 = 1900 nM
4	IC50 = 7200 nM
5	IC50 = 22000 nM
CP0686586 Compound Info	2-(4-((2-amino-4-hydroxyquinazolin-6-yl)methylthio)benzamido)pentanedioic acid Show/Hide	C21H20N4O6S	1
1	IC50 = 330 nM
CP0036368 Compound Info	(2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethyl)phenyl]formamido}pentanedioic acid Show/Hide	C20H21N5O6	7
1	IC50 = 1400 nM
2	IC50 = 1500 nM
3	IC50 = 2300 nM
4	IC50 = 6600 nM
5	IC50 = 66000 nM
6	Ki = 7 nM
7	Ki = 7.2 nM
CP0788593 Compound Info	2-[4-(2-Amino-6-methyl-4-oxo-4,4a,7,7a-tetrahydro-3H-pyrrolo[2,3-d]pyrimidin-5-ylsulfanyl)-benzoylamino]-pentanedioic acid Show/Hide	C19H21N5O6S	1
1	IC50 = 2200 nM
CP0075932 Compound Info	(S)-2-(4-{[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl)-amino]-methyl}-benzoylamino)-pentanedioic acid Show/Hide	C20H22N6O6	1
1	IC50 = 10000 nM
CP0358670 Compound Info	2-{4-[(4-Amino-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid Show/Hide	C19H19N7O5	1
1	IC50 = 19000 nM
CP0297780 Compound Info	2-{4-[(4-Amino-2-methyl-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid Show/Hide	C20H21N7O5	1
1	IC50 > 50000 nM
CP0056680 Compound Info	2-{4-[(2,4-Diamino-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid Show/Hide	C21H22N6O5	1
1	Ki = 0.01 nM

Clinical Information about the Protein

Target 1 ( Dihydrofolate reductase (DHFR) )

Target Type	Successful Target
Disease	5 Target-related Diseases				5
1	Pulmonary and extrapulmonary tuberculosis [ICD-11: 1B10.Z]
2	Solid tumour/cancer [ICD-11: 2A00-2F9Z]
3	Urinary tract infection [ICD-11: GC08]
4	Bacterial infection [ICD-11: 1A00-1C4Z]
5	Bladder cancer [ICD-11: 2C94]
Approved Drug(s)	3 Approved Drugs				3
1	Aminosalicylic Acid	Drug Info	Approved	Pulmonary and extrapulmonary tuberculosis
2	Leucovorin Calcium	Drug Info	Approved	Solid tumour/cancer
3	Trimethoprim	Drug Info	Approved	Urinary tract infection
Clinical Trial Drug(s)	2 Clinical Trial Drugs				2
1	Iclaprim	Drug Info	Phase 3	Bacterial infection
2	PIRITREXIM	Drug Info	Phase 2	Bladder cancer
Preclinical Drug(s)	1 Preclinical Drug				1
1	1954U89	Drug Info	Preclinical	Solid tumour/cancer

Cite

About MolBiC

Correspondence

Prof. Feng ZHU

Prof. Leo, Lianyi Han