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Substance
ID:1823494
Structure
Similarity
Functional Group
Text
ID:445
methotrexate
Chemical Entities of Biological Interest
ID: CHEBI:44185
Names and Identifiers
IUPAC Traditional name
methotrexate
IUPAC name
(2S)-2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioic acid
Brand Name
Trexall
Ledertrexate
Emtexate
Rheumatrex
Synonyms
methotrexate
4-amino-10-methylfolic acid
4-amino-N(10)-methylpteroylglutamic acid
METHOTREXATE
MTX
Methotrexate
N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamic acid
International Nonproprietary Name (INN)
methotrexate
methotrexatum
metotrexato
Registration numbers
PubChem CID
126941
CAS Number
59-05-2
Wikipedia Title
Methotrexate
DrugBank ID
DB00563
KEGG ID
C01937
LINCS Database
LSM-5690
ACToR Database
51865-79-3
BKMS React Database
9550
3613
229642
132028
241
220748
222656
39751
138514
49198
91627
229641
BRENDA Database
3.1.1.7
3.4.21.26
7.6.2.2
1.3.3.3
1.5.1.3
2.1.1.45
1.5.1.5
6.3.4.3
2.1.2.1
6.3.2.17
3.5.3.15
5.3.2.1
1.1.1.43
5.6.2.2
6.3.2.3
6.5.1.2
4.3.1.4
3.5.4.24
3.5.4.9
1.5.1.33
1.5.1.34
2.1.1.20
2.1.1.63
2.1.2.2
2.1.2.3
2.1.2.5
2.1.2.8
2.1.2.9
2.3.1.5
2.4.2.14
1.14.16.6
3.4.24.B19
3.4.17.11
1.2.3.1
3.4.17.1
3.4.17.21
3.4.17.15
3.4.19.9
BRENDA Ligand Database
222656
3613
220748
91627
138514
39751
241
229642
49198
9550
132028
229641
CHEMBL
CHEMBL34259
CompTox Database
DTXSID4020822
MetaboLights Database
MTBLS2825
MTBLS1693
MTBLS3950
MTBLS3750
MTBLS379
MTBLS2145
Protein Data Bank
1ddr
1ao8
1axw
1d1g
1dds
1df7
1dhi
1dhj
1dls
1dra
1drb
1dre
1e7w
1mxf
1p33
1ra3
1rb3
1rg7
1rh3
1rx3
1tdr
1u70
1u72
2c7v
2drc
2oip
2qk8
3cd2
3cl9
3dat
3dau
3dfr
3drc
3eig
3hj3
3ia4
3ix9
3qxt
3qxv
3tq9
4dfr
4gh8
4kn0
4ky8
4l6h
4l8f
4l8w
4p66
4p68
4q0d
4qi9
5hi6
5j7w
5x66
6deb
6ojs
6p9z
6pf7
6pf8
6pf9
6pfa
6pfb
6pfc
6pfd
6pfe
6pff
6pfg
6pfh
6pfi
6smn
6smr
6uy3
6wep
7cca
7dp4
7dp5
7f3y
7rg7
SABIO-RK Database
13896
14118
14115
12930
1883
1898
100
88
95
1256
51
1828
SureChEMBL Database
SCHEMBL3711
UniProt Database
P28873
Q8HXQ5
Q6UR05
P33527
Q864R9
O35379
Q8CG09
Q01782
P42556
Q05932
P04425
Q8TPU9
O32854
Q8Q082
Q8TPV0
O32855
Q8Q081
P70502
Q6ZQN7
Q9Y6L6
Q91WU2
Q4W8A2
P62023
P18998
Q9M0Y2
Q944N8
Q84XI3
Q8VXY7
Q9M0Y3
Q9SKZ5
Q55721
P42557
P41438
Q62866
P0ABQ4
Q9U8B8
P00381
P04753
P00383
P00384
P05794
Q7DM58
Q96J66
Q9UNQ0
P21441
P80719
P0AFS3
Q8TPU8
O32853
Q8Q083
Q8BGD4
Q5RFF0
Q71MB6
Q9NPD5
Beilstein Number
70669
PDBeChem Database
MTX
Patent number
EP1829528
EP1832605
EP1834637
EP1837031
EP1849480
EP1859797
EP1859811
EP1870105
EP1880729
EP1900742
EP1911449
EP1911740
EP1932527
EP1935416
EP1935427
EP1938798
EP1938816
EP1939204
EP1941904
EP1942130
EP1942189
EP1944019
EP1947113
EP1947114
EP1949898
EP1949905
EP1950301
EP1952825
EP1955693
EP1955710
EP1955711
EP1958961
EP1975620
EP1977765
EP1990048
EP1990342
EP1990639
GB2278843
GB2321455
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EP1229034
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EP1310488
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EP1508331
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IntAct Database
EBI-25642569
Drug Central Database
1,751
BindingDB Database
66082
KEGG DRUG Database
D00142
ArrayExpress (Gene Expression Altlas)
E-GEOD-41831
CHEBI ID
CHEBI:44185
CHEBI:44183
CHEBI:6837
PubChem SID
26697183
Properties
No Data Available
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Molecule Details
No Data Available
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Molecular Spectra
No Data Available
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References
No Data Available
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Registration numbers
Properties
Molecule Details
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