Found 10 hits for monomerid = 50244187 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50244187
(CHEMBL4076607 | US10533010, Example I-183 | US1120...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1cc(ccn1)C(O)=O |(8.08,-4.59,;6.61,-4.12,;6.13,-2.65,;4.59,-2.66,;3.68,-1.41,;4.12,-4.12,;2.66,-4.6,;5.37,-5.02,;5.38,-6.57,;4.05,-7.34,;2.72,-6.57,;4.05,-8.89,;5.38,-9.66,;6.71,-8.89,;8.19,-9.37,;8.67,-10.83,;10.17,-11.15,;10.65,-12.61,;12.15,-12.93,;12.63,-14.4,;14.13,-14.71,;14.61,-16.17,;16.12,-16.48,;13.58,-17.32,;14.06,-18.79,;12.07,-17,;11.04,-18.15,;11.6,-15.54,;9.1,-8.11,;8.19,-6.86,;6.71,-7.34,;10.64,-8.11,;11.41,-9.44,;11.41,-6.78,;12.95,-6.77,;13.72,-8.11,;15.25,-8.11,;16.03,-6.78,;15.25,-5.44,;13.71,-5.45,;16.02,-9.45,;17.56,-9.45,;15.25,-10.78,)| Show InChI InChI=1S/C32H31Cl2N5O4/c1-16-13-21(14-17(2)28(16)34)43-12-6-7-22-23-8-9-24(33)27(26-18(3)38-39(5)19(26)4)29(23)37-30(22)31(40)36-25-15-20(32(41)42)10-11-35-25/h8-11,13-15,37H,6-7,12H2,1-5H3,(H,41,42)(H,35,36,40) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| <7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50244187
(CHEMBL4076607 | US10533010, Example I-183 | US1120...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1cc(ccn1)C(O)=O |(8.08,-4.59,;6.61,-4.12,;6.13,-2.65,;4.59,-2.66,;3.68,-1.41,;4.12,-4.12,;2.66,-4.6,;5.37,-5.02,;5.38,-6.57,;4.05,-7.34,;2.72,-6.57,;4.05,-8.89,;5.38,-9.66,;6.71,-8.89,;8.19,-9.37,;8.67,-10.83,;10.17,-11.15,;10.65,-12.61,;12.15,-12.93,;12.63,-14.4,;14.13,-14.71,;14.61,-16.17,;16.12,-16.48,;13.58,-17.32,;14.06,-18.79,;12.07,-17,;11.04,-18.15,;11.6,-15.54,;9.1,-8.11,;8.19,-6.86,;6.71,-7.34,;10.64,-8.11,;11.41,-9.44,;11.41,-6.78,;12.95,-6.77,;13.72,-8.11,;15.25,-8.11,;16.03,-6.78,;15.25,-5.44,;13.71,-5.45,;16.02,-9.45,;17.56,-9.45,;15.25,-10.78,)| Show InChI InChI=1S/C32H31Cl2N5O4/c1-16-13-21(14-17(2)28(16)34)43-12-6-7-22-23-8-9-24(33)27(26-18(3)38-39(5)19(26)4)29(23)37-30(22)31(40)36-25-15-20(32(41)42)10-11-35-25/h8-11,13-15,37H,6-7,12H2,1-5H3,(H,41,42)(H,35,36,40) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | <7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50244187
(CHEMBL4076607 | US10533010, Example I-183 | US1120...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1cc(ccn1)C(O)=O |(8.08,-4.59,;6.61,-4.12,;6.13,-2.65,;4.59,-2.66,;3.68,-1.41,;4.12,-4.12,;2.66,-4.6,;5.37,-5.02,;5.38,-6.57,;4.05,-7.34,;2.72,-6.57,;4.05,-8.89,;5.38,-9.66,;6.71,-8.89,;8.19,-9.37,;8.67,-10.83,;10.17,-11.15,;10.65,-12.61,;12.15,-12.93,;12.63,-14.4,;14.13,-14.71,;14.61,-16.17,;16.12,-16.48,;13.58,-17.32,;14.06,-18.79,;12.07,-17,;11.04,-18.15,;11.6,-15.54,;9.1,-8.11,;8.19,-6.86,;6.71,-7.34,;10.64,-8.11,;11.41,-9.44,;11.41,-6.78,;12.95,-6.77,;13.72,-8.11,;15.25,-8.11,;16.03,-6.78,;15.25,-5.44,;13.71,-5.45,;16.02,-9.45,;17.56,-9.45,;15.25,-10.78,)| Show InChI InChI=1S/C32H31Cl2N5O4/c1-16-13-21(14-17(2)28(16)34)43-12-6-7-22-23-8-9-24(33)27(26-18(3)38-39(5)19(26)4)29(23)37-30(22)31(40)36-25-15-20(32(41)42)10-11-35-25/h8-11,13-15,37H,6-7,12H2,1-5H3,(H,41,42)(H,35,36,40) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of FITC-Bak-BH3/FITC-Bim-BH3 binding to MCL1 (172 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 CodonPlus (DE3) RIL... |
J Med Chem 61: 2410-2421 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01155
BindingDB Entry DOI: 10.7270/Q2125W3M |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50244187
(CHEMBL4076607 | US10533010, Example I-183 | US1120...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1cc(ccn1)C(O)=O |(8.08,-4.59,;6.61,-4.12,;6.13,-2.65,;4.59,-2.66,;3.68,-1.41,;4.12,-4.12,;2.66,-4.6,;5.37,-5.02,;5.38,-6.57,;4.05,-7.34,;2.72,-6.57,;4.05,-8.89,;5.38,-9.66,;6.71,-8.89,;8.19,-9.37,;8.67,-10.83,;10.17,-11.15,;10.65,-12.61,;12.15,-12.93,;12.63,-14.4,;14.13,-14.71,;14.61,-16.17,;16.12,-16.48,;13.58,-17.32,;14.06,-18.79,;12.07,-17,;11.04,-18.15,;11.6,-15.54,;9.1,-8.11,;8.19,-6.86,;6.71,-7.34,;10.64,-8.11,;11.41,-9.44,;11.41,-6.78,;12.95,-6.77,;13.72,-8.11,;15.25,-8.11,;16.03,-6.78,;15.25,-5.44,;13.71,-5.45,;16.02,-9.45,;17.56,-9.45,;15.25,-10.78,)| Show InChI InChI=1S/C32H31Cl2N5O4/c1-16-13-21(14-17(2)28(16)34)43-12-6-7-22-23-8-9-24(33)27(26-18(3)38-39(5)19(26)4)29(23)37-30(22)31(40)36-25-15-20(32(41)42)10-11-35-25/h8-11,13-15,37H,6-7,12H2,1-5H3,(H,41,42)(H,35,36,40) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50244187
(CHEMBL4076607 | US10533010, Example I-183 | US1120...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1cc(ccn1)C(O)=O |(8.08,-4.59,;6.61,-4.12,;6.13,-2.65,;4.59,-2.66,;3.68,-1.41,;4.12,-4.12,;2.66,-4.6,;5.37,-5.02,;5.38,-6.57,;4.05,-7.34,;2.72,-6.57,;4.05,-8.89,;5.38,-9.66,;6.71,-8.89,;8.19,-9.37,;8.67,-10.83,;10.17,-11.15,;10.65,-12.61,;12.15,-12.93,;12.63,-14.4,;14.13,-14.71,;14.61,-16.17,;16.12,-16.48,;13.58,-17.32,;14.06,-18.79,;12.07,-17,;11.04,-18.15,;11.6,-15.54,;9.1,-8.11,;8.19,-6.86,;6.71,-7.34,;10.64,-8.11,;11.41,-9.44,;11.41,-6.78,;12.95,-6.77,;13.72,-8.11,;15.25,-8.11,;16.03,-6.78,;15.25,-5.44,;13.71,-5.45,;16.02,-9.45,;17.56,-9.45,;15.25,-10.78,)| Show InChI InChI=1S/C32H31Cl2N5O4/c1-16-13-21(14-17(2)28(16)34)43-12-6-7-22-23-8-9-24(33)27(26-18(3)38-39(5)19(26)4)29(23)37-30(22)31(40)36-25-15-20(32(41)42)10-11-35-25/h8-11,13-15,37H,6-7,12H2,1-5H3,(H,41,42)(H,35,36,40) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50244187
(CHEMBL4076607 | US10533010, Example I-183 | US1120...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1cc(ccn1)C(O)=O |(8.08,-4.59,;6.61,-4.12,;6.13,-2.65,;4.59,-2.66,;3.68,-1.41,;4.12,-4.12,;2.66,-4.6,;5.37,-5.02,;5.38,-6.57,;4.05,-7.34,;2.72,-6.57,;4.05,-8.89,;5.38,-9.66,;6.71,-8.89,;8.19,-9.37,;8.67,-10.83,;10.17,-11.15,;10.65,-12.61,;12.15,-12.93,;12.63,-14.4,;14.13,-14.71,;14.61,-16.17,;16.12,-16.48,;13.58,-17.32,;14.06,-18.79,;12.07,-17,;11.04,-18.15,;11.6,-15.54,;9.1,-8.11,;8.19,-6.86,;6.71,-7.34,;10.64,-8.11,;11.41,-9.44,;11.41,-6.78,;12.95,-6.77,;13.72,-8.11,;15.25,-8.11,;16.03,-6.78,;15.25,-5.44,;13.71,-5.45,;16.02,-9.45,;17.56,-9.45,;15.25,-10.78,)| Show InChI InChI=1S/C32H31Cl2N5O4/c1-16-13-21(14-17(2)28(16)34)43-12-6-7-22-23-8-9-24(33)27(26-18(3)38-39(5)19(26)4)29(23)37-30(22)31(40)36-25-15-20(32(41)42)10-11-35-25/h8-11,13-15,37H,6-7,12H2,1-5H3,(H,41,42)(H,35,36,40) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of FITC-Bak-BH3/FITC-Bim-BH3 binding to MCL1 (172 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 CodonPlus (DE3) RIL... |
J Med Chem 61: 2410-2421 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01155
BindingDB Entry DOI: 10.7270/Q2125W3M |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50244187
(CHEMBL4076607 | US10533010, Example I-183 | US1120...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1cc(ccn1)C(O)=O |(8.08,-4.59,;6.61,-4.12,;6.13,-2.65,;4.59,-2.66,;3.68,-1.41,;4.12,-4.12,;2.66,-4.6,;5.37,-5.02,;5.38,-6.57,;4.05,-7.34,;2.72,-6.57,;4.05,-8.89,;5.38,-9.66,;6.71,-8.89,;8.19,-9.37,;8.67,-10.83,;10.17,-11.15,;10.65,-12.61,;12.15,-12.93,;12.63,-14.4,;14.13,-14.71,;14.61,-16.17,;16.12,-16.48,;13.58,-17.32,;14.06,-18.79,;12.07,-17,;11.04,-18.15,;11.6,-15.54,;9.1,-8.11,;8.19,-6.86,;6.71,-7.34,;10.64,-8.11,;11.41,-9.44,;11.41,-6.78,;12.95,-6.77,;13.72,-8.11,;15.25,-8.11,;16.03,-6.78,;15.25,-5.44,;13.71,-5.45,;16.02,-9.45,;17.56,-9.45,;15.25,-10.78,)| Show InChI InChI=1S/C32H31Cl2N5O4/c1-16-13-21(14-17(2)28(16)34)43-12-6-7-22-23-8-9-24(33)27(26-18(3)38-39(5)19(26)4)29(23)37-30(22)31(40)36-25-15-20(32(41)42)10-11-35-25/h8-11,13-15,37H,6-7,12H2,1-5H3,(H,41,42)(H,35,36,40) | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50244187
(CHEMBL4076607 | US10533010, Example I-183 | US1120...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1cc(ccn1)C(O)=O |(8.08,-4.59,;6.61,-4.12,;6.13,-2.65,;4.59,-2.66,;3.68,-1.41,;4.12,-4.12,;2.66,-4.6,;5.37,-5.02,;5.38,-6.57,;4.05,-7.34,;2.72,-6.57,;4.05,-8.89,;5.38,-9.66,;6.71,-8.89,;8.19,-9.37,;8.67,-10.83,;10.17,-11.15,;10.65,-12.61,;12.15,-12.93,;12.63,-14.4,;14.13,-14.71,;14.61,-16.17,;16.12,-16.48,;13.58,-17.32,;14.06,-18.79,;12.07,-17,;11.04,-18.15,;11.6,-15.54,;9.1,-8.11,;8.19,-6.86,;6.71,-7.34,;10.64,-8.11,;11.41,-9.44,;11.41,-6.78,;12.95,-6.77,;13.72,-8.11,;15.25,-8.11,;16.03,-6.78,;15.25,-5.44,;13.71,-5.45,;16.02,-9.45,;17.56,-9.45,;15.25,-10.78,)| Show InChI InChI=1S/C32H31Cl2N5O4/c1-16-13-21(14-17(2)28(16)34)43-12-6-7-22-23-8-9-24(33)27(26-18(3)38-39(5)19(26)4)29(23)37-30(22)31(40)36-25-15-20(32(41)42)10-11-35-25/h8-11,13-15,37H,6-7,12H2,1-5H3,(H,41,42)(H,35,36,40) | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Bcl-xL/Bcl-2-binding component 3
(Homo sapiens (Human)) | BDBM50244187
(CHEMBL4076607 | US10533010, Example I-183 | US1120...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1cc(ccn1)C(O)=O |(8.08,-4.59,;6.61,-4.12,;6.13,-2.65,;4.59,-2.66,;3.68,-1.41,;4.12,-4.12,;2.66,-4.6,;5.37,-5.02,;5.38,-6.57,;4.05,-7.34,;2.72,-6.57,;4.05,-8.89,;5.38,-9.66,;6.71,-8.89,;8.19,-9.37,;8.67,-10.83,;10.17,-11.15,;10.65,-12.61,;12.15,-12.93,;12.63,-14.4,;14.13,-14.71,;14.61,-16.17,;16.12,-16.48,;13.58,-17.32,;14.06,-18.79,;12.07,-17,;11.04,-18.15,;11.6,-15.54,;9.1,-8.11,;8.19,-6.86,;6.71,-7.34,;10.64,-8.11,;11.41,-9.44,;11.41,-6.78,;12.95,-6.77,;13.72,-8.11,;15.25,-8.11,;16.03,-6.78,;15.25,-5.44,;13.71,-5.45,;16.02,-9.45,;17.56,-9.45,;15.25,-10.78,)| Show InChI InChI=1S/C32H31Cl2N5O4/c1-16-13-21(14-17(2)28(16)34)43-12-6-7-22-23-8-9-24(33)27(26-18(3)38-39(5)19(26)4)29(23)37-30(22)31(40)36-25-15-20(32(41)42)10-11-35-25/h8-11,13-15,37H,6-7,12H2,1-5H3,(H,41,42)(H,35,36,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | 1.44E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1 (Bcl-xL)
(Homo sapiens (Human)) | BDBM50244187
(CHEMBL4076607 | US10533010, Example I-183 | US1120...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1cc(ccn1)C(O)=O |(8.08,-4.59,;6.61,-4.12,;6.13,-2.65,;4.59,-2.66,;3.68,-1.41,;4.12,-4.12,;2.66,-4.6,;5.37,-5.02,;5.38,-6.57,;4.05,-7.34,;2.72,-6.57,;4.05,-8.89,;5.38,-9.66,;6.71,-8.89,;8.19,-9.37,;8.67,-10.83,;10.17,-11.15,;10.65,-12.61,;12.15,-12.93,;12.63,-14.4,;14.13,-14.71,;14.61,-16.17,;16.12,-16.48,;13.58,-17.32,;14.06,-18.79,;12.07,-17,;11.04,-18.15,;11.6,-15.54,;9.1,-8.11,;8.19,-6.86,;6.71,-7.34,;10.64,-8.11,;11.41,-9.44,;11.41,-6.78,;12.95,-6.77,;13.72,-8.11,;15.25,-8.11,;16.03,-6.78,;15.25,-5.44,;13.71,-5.45,;16.02,-9.45,;17.56,-9.45,;15.25,-10.78,)| Show InChI InChI=1S/C32H31Cl2N5O4/c1-16-13-21(14-17(2)28(16)34)43-12-6-7-22-23-8-9-24(33)27(26-18(3)38-39(5)19(26)4)29(23)37-30(22)31(40)36-25-15-20(32(41)42)10-11-35-25/h8-11,13-15,37H,6-7,12H2,1-5H3,(H,41,42)(H,35,36,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| 1.44E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
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Ligand-Target Pair | |
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