| Reaction Details |
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 | Report a problem with these data |
| Target | DNA excision repair protein ERCC-1/repair endonuclease XPF |
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| Ligand | BDBM50504115 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1813582 (CHEMBL4313156) |
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| Kd | 100±n/a nM |
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| Citation |  Elmenoufy, AH; Gentile, F; Jay, D; Karimi-Busheri, F; Yang, X; Soueidan, OM; Weilbeer, C; Mani, RS; Barakat, KH; Tuszynski, JA; Weinfeld, M; West, FG Targeting DNA Repair in Tumor Cells via Inhibition of ERCC1-XPF. J Med Chem62:7684-7696 (2019) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| DNA excision repair protein ERCC-1/repair endonuclease XPF |
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| Name: | DNA excision repair protein ERCC-1/repair endonuclease XPF |
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| Synonyms: | DNA excision repair protein ERCC-1/DNA repair endonuclease XPF |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of ChEMBL is 1813582 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | DNA excision repair protein ERCC-1 |
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| Synonyms: | DNA excision repair protein ERCC-1 | ERCC1 | ERCC1_HUMAN |
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| Type: | PROTEIN |
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| Mol. Mass.: | 32560.98 |
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| Organism: | Homo sapiens |
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| Description: | ChEMBL_117029 |
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| Residue: | 297 |
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| Sequence: | MDPGKDKEGVPQPSGPPARKKFVIPLDEDEVPPGVAKPLFRSTQSLPTVDTSAQAAPQTY
AEYAISQPLEGAGATCPTGSEPLAGETPNQALKPGAKSNSIIVSPRQRGNPVLKFVRNVP
WEFGDVIPDYVLGQSTCALFLSLRYHNLHPDYIHGRLQSLGKNFALRVLLVQVDVKDPQQ
ALKELAKMCILADCTLILAWSPEEAGRYLETYKAYEQKPADLLMEKLEQDFVSRVTECLT
TVKSVNKTDSQTLLTTFGSLEQLIAASREDLALCPGLGPQKARRLFDVLHEPFLKVP
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| Component 2 |
| Name: | DNA repair endonuclease XPF |
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| Synonyms: | 3.1.-.- | DNA excision repair protein ERCC-4 | DNA repair endonuclease XPF | DNA repair protein complementing XP-F cells | ERCC11 | ERCC4 | XPF | XPF_HUMAN | Xeroderma pigmentosum group F-complementing protein |
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| Type: | PROTEIN |
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| Mol. Mass.: | 104490.29 |
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| Organism: | Homo sapiens |
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| Description: | ChEMBL_117029 |
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| Residue: | 916 |
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| Sequence: | MESGQPARRIAMAPLLEYERQLVLELLDTDGLVVCARGLGADRLLYHFLQLHCHPACLVL
VLNTQPAEEEYFINQLKIEGVEHLPRRVTNEITSNSRYEVYTQGGVIFATSRILVVDFLT
DRIPSDLITGILVYRAHRIIESCQEAFILRLFRQKNKRGFIKAFTDNAVAFDTGFCHVER
VMRNLFVRKLYLWPRFHVAVNSFLEQHKPEVVEIHVSMTPTMLAIQTAILDILNACLKEL
KCHNPSLEVEDLSLENAIGKPFDKTIRHYLDPLWHQLGAKTKSLVQDLKILRTLLQYLSQ
YDCVTFLNLLESLRATEKAFGQNSGWLFLDSSTSMFINARARVYHLPDAKMSKKEKISEK
MEIKEGEETKKELVLESNPKWEALTEVLKEIEAENKESEALGGPGQVLICASDDRTCSQL
RDYITLGAEAFLLRLYRKTFEKDSKAEEVWMKFRKEDSSKRIRKSHKRPKDPQNKERAST
KERTLKKKKRKLTLTQMVGKPEELEEEGDVEEGYRREISSSPESCPEEIKHEEFDVNLSS
DAAFGILKEPLTIIHPLLGCSDPYALTRVLHEVEPRYVVLYDAELTFVRQLEIYRASRPG
KPLRVYFLIYGGSTEEQRYLTALRKEKEAFEKLIREKASMVVPEEREGRDETNLDLVRGT
ASADVSTDTRKAGGQEQNGTQQSIVVDMREFRSELPSLIHRRGIDIEPVTLEVGDYILTP
EMCVERKSISDLIGSLNNGRLYSQCISMSRYYKRPVLLIEFDPSKPFSLTSRGALFQEIS
SNDISSKLTLLTLHFPRLRILWCPSPHATAELFEELKQSKPQPDAATALAITADSETLPE
SEKYNPGPQDFLLKMPGVNAKNCRSLMHHVKNIAELAALSQDELTSILGNAANAKQLYDF
IHTSFAEVVSKGKGKK
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| BDBM50504115 |
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| n/a |
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| Name | BDBM50504115 |
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| Synonyms: | CHEMBL4470176 |
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| Type | Small organic molecule |
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| Emp. Form. | C29H34ClN5O2 |
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| Mol. Mass. | 520.066 |
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| SMILES | COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CN4CCN(CCN(C)C)CC4)c3)c2c1 |
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| Structure | 
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