Found 28 hits Enz. Inhib. hit(s) with all data for entry = 50017566 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50428286
(DABRAFENIB | GSK2118436A)Show SMILES CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F Show InChI InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01354
BindingDB Entry DOI: 10.7270/Q2474FZQ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50602851
(CHEMBL5189539)Show SMILES Nc1nccc(n1)-c1sc(nc1-c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1F)C1CCCN1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01354
BindingDB Entry DOI: 10.7270/Q2474FZQ |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50602852
(CHEMBL5201169)Show SMILES Nc1nccc(n1)-c1sc(nc1-c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1F)C1CCCCN1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01354
BindingDB Entry DOI: 10.7270/Q2474FZQ |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50602855
(CHEMBL5176494)Show SMILES Nc1nccc(n1)-c1sc(nc1-c1cc(Cl)cc(NS(=O)(=O)c2cc(F)ccc2F)c1F)C1COCCN1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01354
BindingDB Entry DOI: 10.7270/Q2474FZQ |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50602850
(CHEMBL5203353)Show SMILES Nc1nccc(n1)-c1sc(nc1-c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1F)C1CCN1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01354
BindingDB Entry DOI: 10.7270/Q2474FZQ |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50602854
(CHEMBL5202550)Show SMILES CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cc(Cl)cc(NS(=O)(=O)c2cc(F)ccc2F)c1F | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01354
BindingDB Entry DOI: 10.7270/Q2474FZQ |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50602856
(CHEMBL5183233)Show SMILES Nc1nccc(n1)-c1sc(nc1-c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1F)C1CCN(CC1)C1CC1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01354
BindingDB Entry DOI: 10.7270/Q2474FZQ |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50602857
(CHEMBL5190223)Show SMILES Nc1nccc(n1)-c1sc(nc1-c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1F)C1CCCNC1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01354
BindingDB Entry DOI: 10.7270/Q2474FZQ |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50602853
(CHEMBL5192974)Show SMILES Nc1nccc(n1)-c1sc(nc1-c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1F)C1CNCCN1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01354
BindingDB Entry DOI: 10.7270/Q2474FZQ |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50602858
(CHEMBL5186595)Show SMILES Nc1nccc(n1)-c1sc(nc1-c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1F)C1COCCN1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01354
BindingDB Entry DOI: 10.7270/Q2474FZQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50602859
(CHEMBL5195570)Show SMILES NCCCc1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1F | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01354
BindingDB Entry DOI: 10.7270/Q2474FZQ |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50602860
(CHEMBL5197265)Show SMILES CC(=O)Nc1nccc(n1)-c1sc(CCCN)nc1-c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1F | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01354
BindingDB Entry DOI: 10.7270/Q2474FZQ |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50602862
(CHEMBL5193921)Show SMILES CCN(C)S(=O)(=O)Nc1cccc(c1)-c1nc(sc1-c1ccnc(N)n1)C(C)(C)C | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01354
BindingDB Entry DOI: 10.7270/Q2474FZQ |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50602850
(CHEMBL5203353)Show SMILES Nc1nccc(n1)-c1sc(nc1-c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1F)C1CCN1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01354
BindingDB Entry DOI: 10.7270/Q2474FZQ |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50428286
(DABRAFENIB | GSK2118436A)Show SMILES CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F Show InChI InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 87 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01354
BindingDB Entry DOI: 10.7270/Q2474FZQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50602852
(CHEMBL5201169)Show SMILES Nc1nccc(n1)-c1sc(nc1-c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1F)C1CCCCN1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.16E+3 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01354
BindingDB Entry DOI: 10.7270/Q2474FZQ |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50602853
(CHEMBL5192974)Show SMILES Nc1nccc(n1)-c1sc(nc1-c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1F)C1CNCCN1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01354
BindingDB Entry DOI: 10.7270/Q2474FZQ |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50602854
(CHEMBL5202550)Show SMILES CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cc(Cl)cc(NS(=O)(=O)c2cc(F)ccc2F)c1F | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 81 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01354
BindingDB Entry DOI: 10.7270/Q2474FZQ |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50602855
(CHEMBL5176494)Show SMILES Nc1nccc(n1)-c1sc(nc1-c1cc(Cl)cc(NS(=O)(=O)c2cc(F)ccc2F)c1F)C1COCCN1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.28E+3 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01354
BindingDB Entry DOI: 10.7270/Q2474FZQ |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50602856
(CHEMBL5183233)Show SMILES Nc1nccc(n1)-c1sc(nc1-c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1F)C1CCN(CC1)C1CC1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.21E+3 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01354
BindingDB Entry DOI: 10.7270/Q2474FZQ |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50602857
(CHEMBL5190223)Show SMILES Nc1nccc(n1)-c1sc(nc1-c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1F)C1CCCNC1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01354
BindingDB Entry DOI: 10.7270/Q2474FZQ |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50602858
(CHEMBL5186595)Show SMILES Nc1nccc(n1)-c1sc(nc1-c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1F)C1COCCN1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.15E+4 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01354
BindingDB Entry DOI: 10.7270/Q2474FZQ |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50602859
(CHEMBL5195570)Show SMILES NCCCc1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1F | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01354
BindingDB Entry DOI: 10.7270/Q2474FZQ |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50602861
(CHEMBL5205492)Show SMILES CC(=O)Nc1nccc(n1)-c1sc(nc1-c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1F)C1CCN(CC1)C1CC1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.08E+4 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01354
BindingDB Entry DOI: 10.7270/Q2474FZQ |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50602860
(CHEMBL5197265)Show SMILES CC(=O)Nc1nccc(n1)-c1sc(CCCN)nc1-c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1F | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01354
BindingDB Entry DOI: 10.7270/Q2474FZQ |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50428286
(DABRAFENIB | GSK2118436A)Show SMILES CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F Show InChI InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 87 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01354
BindingDB Entry DOI: 10.7270/Q2474FZQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50428286
(DABRAFENIB | GSK2118436A)Show SMILES CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F Show InChI InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01354
BindingDB Entry DOI: 10.7270/Q2474FZQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50602851
(CHEMBL5189539)Show SMILES Nc1nccc(n1)-c1sc(nc1-c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1F)C1CCCN1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 9.79E+3 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01354
BindingDB Entry DOI: 10.7270/Q2474FZQ |
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