Found 4 hits for monomerid = 224009 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 |
|---|
Haspin
(Homo sapiens (Human)) | BDBM224009
(ARC-3430)Show SMILES C[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCCNC(=O)C[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12)C([O-])=O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](C)C(=O)N[C@H](CCCCNC(=O)c1ccc(c(c1)C(O)=O)-c1c2ccc(cc2oc2cc(ccc12)=[N+](C)C)N(C)C)C(N)=O |r,wU:6.5,62.64,82.84,38.37,40.45,wD:17.16,1.1,73.75,89.92,94.96,26.26,41.41,43.44,(11.91,-18.78,;11.91,-17.24,;10.58,-16.47,;13.25,-16.47,;13.25,-14.93,;14.58,-17.24,;15.92,-16.47,;15.92,-14.93,;14.58,-14.16,;14.58,-12.62,;13.25,-11.85,;13.25,-10.31,;14.58,-9.54,;11.91,-9.54,;17.25,-17.24,;17.25,-18.78,;18.58,-16.47,;19.92,-17.24,;19.92,-18.78,;18.58,-19.55,;18.58,-21.09,;17.25,-21.86,;17.25,-23.4,;15.92,-24.17,;14.58,-23.4,;15.92,-25.71,;14.58,-26.48,;13.25,-25.71,;11.91,-26.48,;11.91,-28.02,;10.58,-25.71,;9.25,-26.48,;7.91,-25.71,;6.58,-26.48,;5.25,-25.71,;3.91,-26.48,;3.91,-33.15,;2.58,-33.92,;5.25,-33.92,;6.54,-33.08,;7.73,-34.05,;7.18,-35.49,;8.02,-36.78,;5.64,-35.41,;4.68,-36.61,;9.22,-33.66,;9.77,-32.22,;11.31,-32.3,;12.28,-31.1,;11.71,-33.79,;13.08,-34.48,;14.37,-33.65,;13.16,-36.02,;11.87,-36.86,;10.5,-36.16,;10.42,-34.62,;14.58,-28.02,;15.92,-28.79,;13.25,-28.79,;21.25,-16.47,;21.25,-14.93,;22.58,-17.24,;23.92,-16.47,;23.92,-14.93,;22.58,-14.16,;22.58,-12.62,;21.25,-11.85,;21.25,-10.31,;22.58,-9.54,;19.92,-9.54,;25.25,-17.24,;25.25,-18.78,;26.59,-16.47,;27.92,-17.24,;27.92,-18.78,;26.59,-19.55,;26.59,-21.09,;27.92,-21.86,;25.25,-21.86,;29.25,-16.47,;29.25,-14.93,;30.59,-17.24,;31.92,-16.47,;31.92,-14.93,;30.59,-14.16,;33.25,-14.16,;33.25,-17.24,;33.25,-18.78,;34.59,-16.47,;35.92,-17.24,;35.92,-18.78,;37.25,-16.47,;37.25,-14.93,;38.59,-17.24,;39.92,-16.47,;39.92,-14.93,;38.59,-14.16,;38.59,-12.62,;37.25,-11.85,;37.25,-10.31,;35.92,-9.54,;34.59,-10.31,;35.92,-8,;34.59,-7.23,;34.59,-5.69,;35.92,-4.92,;37.25,-5.69,;37.25,-7.23,;38.74,-5.29,;39.14,-3.8,;39.83,-6.38,;35.92,-3.38,;34.59,-2.61,;33.25,-3.38,;31.92,-2.61,;31.92,-1.07,;33.25,-.3,;34.59,-1.07,;35.92,-.3,;37.25,-1.07,;38.59,-.3,;39.92,-1.07,;39.92,-2.61,;38.59,-3.38,;37.25,-2.61,;41.26,-.3,;41.26,1.24,;42.59,-1.07,;30.59,-.3,;30.59,1.24,;29.25,-1.07,;41.26,-17.24,;42.59,-16.47,;41.26,-18.78,)| Show InChI InChI=1S/C85H121IN26O22/c1-41(87)72(120)105-54(19-15-33-98-84(91)92)76(124)106-53(18-11-13-30-95-62(116)38-57(83(131)132)103-61(115)21-9-8-12-31-97-80(128)68-66(117)67(118)81(134-68)112-39-51(86)64-69(89)100-40-101-71(64)112)75(123)107-55(20-16-34-99-85(93)94)77(125)108-56(28-29-60(88)114)78(126)109-65(43(3)113)79(127)102-42(2)73(121)104-52(70(90)119)17-10-14-32-96-74(122)44-22-25-47(50(35-44)82(129)130)63-48-26-23-45(110(4)5)36-58(48)133-59-37-46(111(6)7)24-27-49(59)63/h22-27,35-37,39-43,52-57,65-68,81,113,117-118H,8-21,28-34,38,87H2,1-7H3,(H26-,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,114,115,116,119,120,121,122,123,124,125,126,127,128,129,130,131,132)/p+3/t41-,42-,43?,52+,53-,54-,55-,56-,57+,65-,66-,67+,68-,81+/m0/s1 | PDB
GoogleScholar
AffyNet 
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | 7.5 | n/a |
University of Tartu
| Assay Description
All measurements were performed in HEPES (50 mm, pH 7.5) containing NaCl (150 mm), Tween-20 (0.005%) and DTT (5 mm) according to a previously publish... |
Chembiochem 18: 790-798 (2017)
Article DOI: 10.1002/cbic.201600697
BindingDB Entry DOI: 10.7270/Q28914QN |
More data for this
Ligand-Target Pair | |
Haspin
(Homo sapiens (Human)) | BDBM224009
(ARC-3430)Show SMILES C[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCCNC(=O)C[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12)C([O-])=O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](C)C(=O)N[C@H](CCCCNC(=O)c1ccc(c(c1)C(O)=O)-c1c2ccc(cc2oc2cc(ccc12)=[N+](C)C)N(C)C)C(N)=O |r,wU:6.5,62.64,82.84,38.37,40.45,wD:17.16,1.1,73.75,89.92,94.96,26.26,41.41,43.44,(11.91,-18.78,;11.91,-17.24,;10.58,-16.47,;13.25,-16.47,;13.25,-14.93,;14.58,-17.24,;15.92,-16.47,;15.92,-14.93,;14.58,-14.16,;14.58,-12.62,;13.25,-11.85,;13.25,-10.31,;14.58,-9.54,;11.91,-9.54,;17.25,-17.24,;17.25,-18.78,;18.58,-16.47,;19.92,-17.24,;19.92,-18.78,;18.58,-19.55,;18.58,-21.09,;17.25,-21.86,;17.25,-23.4,;15.92,-24.17,;14.58,-23.4,;15.92,-25.71,;14.58,-26.48,;13.25,-25.71,;11.91,-26.48,;11.91,-28.02,;10.58,-25.71,;9.25,-26.48,;7.91,-25.71,;6.58,-26.48,;5.25,-25.71,;3.91,-26.48,;3.91,-33.15,;2.58,-33.92,;5.25,-33.92,;6.54,-33.08,;7.73,-34.05,;7.18,-35.49,;8.02,-36.78,;5.64,-35.41,;4.68,-36.61,;9.22,-33.66,;9.77,-32.22,;11.31,-32.3,;12.28,-31.1,;11.71,-33.79,;13.08,-34.48,;14.37,-33.65,;13.16,-36.02,;11.87,-36.86,;10.5,-36.16,;10.42,-34.62,;14.58,-28.02,;15.92,-28.79,;13.25,-28.79,;21.25,-16.47,;21.25,-14.93,;22.58,-17.24,;23.92,-16.47,;23.92,-14.93,;22.58,-14.16,;22.58,-12.62,;21.25,-11.85,;21.25,-10.31,;22.58,-9.54,;19.92,-9.54,;25.25,-17.24,;25.25,-18.78,;26.59,-16.47,;27.92,-17.24,;27.92,-18.78,;26.59,-19.55,;26.59,-21.09,;27.92,-21.86,;25.25,-21.86,;29.25,-16.47,;29.25,-14.93,;30.59,-17.24,;31.92,-16.47,;31.92,-14.93,;30.59,-14.16,;33.25,-14.16,;33.25,-17.24,;33.25,-18.78,;34.59,-16.47,;35.92,-17.24,;35.92,-18.78,;37.25,-16.47,;37.25,-14.93,;38.59,-17.24,;39.92,-16.47,;39.92,-14.93,;38.59,-14.16,;38.59,-12.62,;37.25,-11.85,;37.25,-10.31,;35.92,-9.54,;34.59,-10.31,;35.92,-8,;34.59,-7.23,;34.59,-5.69,;35.92,-4.92,;37.25,-5.69,;37.25,-7.23,;38.74,-5.29,;39.14,-3.8,;39.83,-6.38,;35.92,-3.38,;34.59,-2.61,;33.25,-3.38,;31.92,-2.61,;31.92,-1.07,;33.25,-.3,;34.59,-1.07,;35.92,-.3,;37.25,-1.07,;38.59,-.3,;39.92,-1.07,;39.92,-2.61,;38.59,-3.38,;37.25,-2.61,;41.26,-.3,;41.26,1.24,;42.59,-1.07,;30.59,-.3,;30.59,1.24,;29.25,-1.07,;41.26,-17.24,;42.59,-16.47,;41.26,-18.78,)| Show InChI InChI=1S/C85H121IN26O22/c1-41(87)72(120)105-54(19-15-33-98-84(91)92)76(124)106-53(18-11-13-30-95-62(116)38-57(83(131)132)103-61(115)21-9-8-12-31-97-80(128)68-66(117)67(118)81(134-68)112-39-51(86)64-69(89)100-40-101-71(64)112)75(123)107-55(20-16-34-99-85(93)94)77(125)108-56(28-29-60(88)114)78(126)109-65(43(3)113)79(127)102-42(2)73(121)104-52(70(90)119)17-10-14-32-96-74(122)44-22-25-47(50(35-44)82(129)130)63-48-26-23-45(110(4)5)36-58(48)133-59-37-46(111(6)7)24-27-49(59)63/h22-27,35-37,39-43,52-57,65-68,81,113,117-118H,8-21,28-34,38,87H2,1-7H3,(H26-,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,114,115,116,119,120,121,122,123,124,125,126,127,128,129,130,131,132)/p+3/t41-,42-,43?,52+,53-,54-,55-,56-,57+,65-,66-,67+,68-,81+/m0/s1 | PDB
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | 7.5 | n/a |
University of Tartu
| Assay Description
Association kinetics (Kon): All measurements were performed in HEPES (50 mM, pH 7.5) containing NaCl (150 mM), Tween-20 (0.005%) and DTT (5 mM) accor... |
Chembiochem 18: 790-798 (2017)
Article DOI: 10.1002/cbic.201600697
BindingDB Entry DOI: 10.7270/Q28914QN |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase (PKA)
(Homo sapiens (Human)) | BDBM224009
(ARC-3430)Show SMILES C[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCCNC(=O)C[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12)C([O-])=O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](C)C(=O)N[C@H](CCCCNC(=O)c1ccc(c(c1)C(O)=O)-c1c2ccc(cc2oc2cc(ccc12)=[N+](C)C)N(C)C)C(N)=O |r,wU:6.5,62.64,82.84,38.37,40.45,wD:17.16,1.1,73.75,89.92,94.96,26.26,41.41,43.44,(11.91,-18.78,;11.91,-17.24,;10.58,-16.47,;13.25,-16.47,;13.25,-14.93,;14.58,-17.24,;15.92,-16.47,;15.92,-14.93,;14.58,-14.16,;14.58,-12.62,;13.25,-11.85,;13.25,-10.31,;14.58,-9.54,;11.91,-9.54,;17.25,-17.24,;17.25,-18.78,;18.58,-16.47,;19.92,-17.24,;19.92,-18.78,;18.58,-19.55,;18.58,-21.09,;17.25,-21.86,;17.25,-23.4,;15.92,-24.17,;14.58,-23.4,;15.92,-25.71,;14.58,-26.48,;13.25,-25.71,;11.91,-26.48,;11.91,-28.02,;10.58,-25.71,;9.25,-26.48,;7.91,-25.71,;6.58,-26.48,;5.25,-25.71,;3.91,-26.48,;3.91,-33.15,;2.58,-33.92,;5.25,-33.92,;6.54,-33.08,;7.73,-34.05,;7.18,-35.49,;8.02,-36.78,;5.64,-35.41,;4.68,-36.61,;9.22,-33.66,;9.77,-32.22,;11.31,-32.3,;12.28,-31.1,;11.71,-33.79,;13.08,-34.48,;14.37,-33.65,;13.16,-36.02,;11.87,-36.86,;10.5,-36.16,;10.42,-34.62,;14.58,-28.02,;15.92,-28.79,;13.25,-28.79,;21.25,-16.47,;21.25,-14.93,;22.58,-17.24,;23.92,-16.47,;23.92,-14.93,;22.58,-14.16,;22.58,-12.62,;21.25,-11.85,;21.25,-10.31,;22.58,-9.54,;19.92,-9.54,;25.25,-17.24,;25.25,-18.78,;26.59,-16.47,;27.92,-17.24,;27.92,-18.78,;26.59,-19.55,;26.59,-21.09,;27.92,-21.86,;25.25,-21.86,;29.25,-16.47,;29.25,-14.93,;30.59,-17.24,;31.92,-16.47,;31.92,-14.93,;30.59,-14.16,;33.25,-14.16,;33.25,-17.24,;33.25,-18.78,;34.59,-16.47,;35.92,-17.24,;35.92,-18.78,;37.25,-16.47,;37.25,-14.93,;38.59,-17.24,;39.92,-16.47,;39.92,-14.93,;38.59,-14.16,;38.59,-12.62,;37.25,-11.85,;37.25,-10.31,;35.92,-9.54,;34.59,-10.31,;35.92,-8,;34.59,-7.23,;34.59,-5.69,;35.92,-4.92,;37.25,-5.69,;37.25,-7.23,;38.74,-5.29,;39.14,-3.8,;39.83,-6.38,;35.92,-3.38,;34.59,-2.61,;33.25,-3.38,;31.92,-2.61,;31.92,-1.07,;33.25,-.3,;34.59,-1.07,;35.92,-.3,;37.25,-1.07,;38.59,-.3,;39.92,-1.07,;39.92,-2.61,;38.59,-3.38,;37.25,-2.61,;41.26,-.3,;41.26,1.24,;42.59,-1.07,;30.59,-.3,;30.59,1.24,;29.25,-1.07,;41.26,-17.24,;42.59,-16.47,;41.26,-18.78,)| Show InChI InChI=1S/C85H121IN26O22/c1-41(87)72(120)105-54(19-15-33-98-84(91)92)76(124)106-53(18-11-13-30-95-62(116)38-57(83(131)132)103-61(115)21-9-8-12-31-97-80(128)68-66(117)67(118)81(134-68)112-39-51(86)64-69(89)100-40-101-71(64)112)75(123)107-55(20-16-34-99-85(93)94)77(125)108-56(28-29-60(88)114)78(126)109-65(43(3)113)79(127)102-42(2)73(121)104-52(70(90)119)17-10-14-32-96-74(122)44-22-25-47(50(35-44)82(129)130)63-48-26-23-45(110(4)5)36-58(48)133-59-37-46(111(6)7)24-27-49(59)63/h22-27,35-37,39-43,52-57,65-68,81,113,117-118H,8-21,28-34,38,87H2,1-7H3,(H26-,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,114,115,116,119,120,121,122,123,124,125,126,127,128,129,130,131,132)/p+3/t41-,42-,43?,52+,53-,54-,55-,56-,57+,65-,66-,67+,68-,81+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 4.10 | n/a | n/a | n/a | 7.5 | n/a |
University of Tartu
| Assay Description
All measurements were performed in HEPES (50 mm, pH 7.5) containing NaCl (150 mm), Tween-20 (0.005%) and DTT (5 mm) according to a previously publish... |
Chembiochem 18: 790-798 (2017)
Article DOI: 10.1002/cbic.201600697
BindingDB Entry DOI: 10.7270/Q28914QN |
More data for this
Ligand-Target Pair | |
Haspin
(Homo sapiens (Human)) | BDBM224009
(ARC-3430)Show SMILES C[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCCNC(=O)C[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12)C([O-])=O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](C)C(=O)N[C@H](CCCCNC(=O)c1ccc(c(c1)C(O)=O)-c1c2ccc(cc2oc2cc(ccc12)=[N+](C)C)N(C)C)C(N)=O |r,wU:6.5,62.64,82.84,38.37,40.45,wD:17.16,1.1,73.75,89.92,94.96,26.26,41.41,43.44,(11.91,-18.78,;11.91,-17.24,;10.58,-16.47,;13.25,-16.47,;13.25,-14.93,;14.58,-17.24,;15.92,-16.47,;15.92,-14.93,;14.58,-14.16,;14.58,-12.62,;13.25,-11.85,;13.25,-10.31,;14.58,-9.54,;11.91,-9.54,;17.25,-17.24,;17.25,-18.78,;18.58,-16.47,;19.92,-17.24,;19.92,-18.78,;18.58,-19.55,;18.58,-21.09,;17.25,-21.86,;17.25,-23.4,;15.92,-24.17,;14.58,-23.4,;15.92,-25.71,;14.58,-26.48,;13.25,-25.71,;11.91,-26.48,;11.91,-28.02,;10.58,-25.71,;9.25,-26.48,;7.91,-25.71,;6.58,-26.48,;5.25,-25.71,;3.91,-26.48,;3.91,-33.15,;2.58,-33.92,;5.25,-33.92,;6.54,-33.08,;7.73,-34.05,;7.18,-35.49,;8.02,-36.78,;5.64,-35.41,;4.68,-36.61,;9.22,-33.66,;9.77,-32.22,;11.31,-32.3,;12.28,-31.1,;11.71,-33.79,;13.08,-34.48,;14.37,-33.65,;13.16,-36.02,;11.87,-36.86,;10.5,-36.16,;10.42,-34.62,;14.58,-28.02,;15.92,-28.79,;13.25,-28.79,;21.25,-16.47,;21.25,-14.93,;22.58,-17.24,;23.92,-16.47,;23.92,-14.93,;22.58,-14.16,;22.58,-12.62,;21.25,-11.85,;21.25,-10.31,;22.58,-9.54,;19.92,-9.54,;25.25,-17.24,;25.25,-18.78,;26.59,-16.47,;27.92,-17.24,;27.92,-18.78,;26.59,-19.55,;26.59,-21.09,;27.92,-21.86,;25.25,-21.86,;29.25,-16.47,;29.25,-14.93,;30.59,-17.24,;31.92,-16.47,;31.92,-14.93,;30.59,-14.16,;33.25,-14.16,;33.25,-17.24,;33.25,-18.78,;34.59,-16.47,;35.92,-17.24,;35.92,-18.78,;37.25,-16.47,;37.25,-14.93,;38.59,-17.24,;39.92,-16.47,;39.92,-14.93,;38.59,-14.16,;38.59,-12.62,;37.25,-11.85,;37.25,-10.31,;35.92,-9.54,;34.59,-10.31,;35.92,-8,;34.59,-7.23,;34.59,-5.69,;35.92,-4.92,;37.25,-5.69,;37.25,-7.23,;38.74,-5.29,;39.14,-3.8,;39.83,-6.38,;35.92,-3.38,;34.59,-2.61,;33.25,-3.38,;31.92,-2.61,;31.92,-1.07,;33.25,-.3,;34.59,-1.07,;35.92,-.3,;37.25,-1.07,;38.59,-.3,;39.92,-1.07,;39.92,-2.61,;38.59,-3.38,;37.25,-2.61,;41.26,-.3,;41.26,1.24,;42.59,-1.07,;30.59,-.3,;30.59,1.24,;29.25,-1.07,;41.26,-17.24,;42.59,-16.47,;41.26,-18.78,)| Show InChI InChI=1S/C85H121IN26O22/c1-41(87)72(120)105-54(19-15-33-98-84(91)92)76(124)106-53(18-11-13-30-95-62(116)38-57(83(131)132)103-61(115)21-9-8-12-31-97-80(128)68-66(117)67(118)81(134-68)112-39-51(86)64-69(89)100-40-101-71(64)112)75(123)107-55(20-16-34-99-85(93)94)77(125)108-56(28-29-60(88)114)78(126)109-65(43(3)113)79(127)102-42(2)73(121)104-52(70(90)119)17-10-14-32-96-74(122)44-22-25-47(50(35-44)82(129)130)63-48-26-23-45(110(4)5)36-58(48)133-59-37-46(111(6)7)24-27-49(59)63/h22-27,35-37,39-43,52-57,65-68,81,113,117-118H,8-21,28-34,38,87H2,1-7H3,(H26-,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,114,115,116,119,120,121,122,123,124,125,126,127,128,129,130,131,132)/p+3/t41-,42-,43?,52+,53-,54-,55-,56-,57+,65-,66-,67+,68-,81+/m0/s1 | PDB
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AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.120 | n/a | n/a | n/a | 7.5 | n/a |
University of Tartu
| Assay Description
All measurements were performed in HEPES (50 mm, pH 7.5) containing NaCl (150 mm), Tween-20 (0.005%) and DTT (5 mm) according to a previously publish... |
Chembiochem 18: 790-798 (2017)
Article DOI: 10.1002/cbic.201600697
BindingDB Entry DOI: 10.7270/Q28914QN |
More data for this
Ligand-Target Pair | |
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