| Reaction Details |
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 | Report a problem with these data |
| Target | Dihydrofolate reductase |
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| Ligand | BDBM18050 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_956187 (CHEMBL2379281) |
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| IC50 | 80±n/a nM |
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| Citation |  Al-Omary, FA; Hassan, GS; El-Messery, SM; Nagi, MN; Habib, el-SE; El-Subbagh, HI Nonclassical antifolates, part 3: synthesis, biological evaluation and molecular modeling study of some new 2-heteroarylthio-quinazolin-4-ones. Eur J Med Chem63:33-45 (2013) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Dihydrofolate reductase |
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| Name: | Dihydrofolate reductase |
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| Synonyms: | DHFR | DYR_BOVIN | Dihydrofolate reductase | Dihydrofolate reductase (DHFR) |
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| Type: | Enzyme |
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| Mol. Mass.: | 21603.71 |
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| Organism: | Bos taurus (Cattle) |
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| Description: | P00376 |
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| Residue: | 187 |
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| Sequence: | MVRPLNCIVAVSQNMGIGKNGDLPWPPLRNEFQYFQRMTTVSSVEGKQNLVIMGRKTWFS
IPEKNRPLKDRINIVLSRELKEPPKGAHFLAKSLDDALELIEDPELTNKVDVVWIVGGSS
VYKEAMNKPGHVRLFVTRIMQEFESDAFFPEIDFEKYKLLPEYPGVPLDVQEEKGIKYKF
EVYEKNN
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|
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| BDBM18050 |
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| n/a |
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| Name | BDBM18050 |
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| Synonyms: | 2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioic acid | CHEMBL34259 | MTX | Methotrexate | cid_126941 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H22N8O5 |
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| Mol. Mass. | 454.4393 |
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| SMILES | CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| |
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| Structure | 
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