Found 272 hits with Last Name = 'sirrenberg' and Initial = 'c' 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 |
|---|
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615065
(CHEMBL5280227)Show SMILES CC1(C)CNCc2cc(Nc3ncc4c(ccn(-c5c(Cl)cccc5Cl)c4=O)n3)ccc12 |(-8.4,1.48,;-7.31,.4,;-6.92,1.88,;-8.65,-.37,;-8.65,-1.92,;-7.31,-2.69,;-5.97,-1.92,;-4.65,-2.7,;-3.31,-1.92,;-1.98,-2.68,;-.66,-1.91,;-.66,-.37,;.67,.41,;2,-.36,;2,-1.91,;3.34,-2.68,;4.67,-1.91,;4.67,-.36,;6,.4,;6,1.93,;4.67,2.7,;7.32,2.69,;8.65,1.93,;8.65,.4,;7.33,-.37,;7.33,-1.9,;3.34,.41,;3.34,1.94,;.67,-2.67,;-3.31,-.37,;-4.65,.39,;-5.97,-.37,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615031
(CHEMBL5281815)Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(C2CCCC=C2)c3=O)cc1 |c:37| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615046
(CHEMBL5289001)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(-c2ccccc2F)c3=O)cc1 |(-10.15,5.03,;-8.82,4.28,;-7.5,5.05,;-6.14,4.29,;-6.14,2.75,;-7.48,1.98,;-8.82,2.74,;-4.81,1.99,;-4.81,.46,;-3.47,-.3,;-2.14,.47,;-.81,-.29,;.51,.48,;.51,2.02,;1.84,2.8,;3.17,2.02,;3.17,.47,;1.84,-.29,;4.64,-0,;5.11,-1.46,;4.08,-2.6,;4.55,-4.06,;6.05,-4.39,;7.08,-3.25,;6.62,-1.78,;8.58,-3.57,;9.61,-2.44,;8.98,-5.05,;10.11,-3.57,;5.55,1.25,;7.08,1.25,;7.84,-.08,;9.38,-.08,;10.15,1.26,;9.38,2.58,;7.84,2.58,;7.08,3.91,;4.64,2.49,;5.11,3.95,;-2.14,2.01,;-3.48,2.77,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50402023
(BI 6727 | VOLASERTIB)Show SMILES CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)N[C@H]3CC[C@@H](CC3)N3CCN(CC4CC4)CC3)ncc2N(C)C1=O |r,wU:2.1,22.22,wD:25.29,(-16.91,4.13,;-15.37,4.13,;-14.97,2.64,;-13.64,3.41,;-13.64,4.95,;-14.97,5.72,;-12.31,5.72,;-12.31,2.64,;-10.97,3.41,;-9.64,2.64,;-8.31,3.41,;-6.97,2.64,;-5.64,3.41,;-4.3,2.64,;-4.3,1.1,;-5.64,.33,;-6.97,1.1,;-8.31,.33,;-8.31,-1.21,;-3.22,.01,;-3.22,-1.53,;-2.13,1.1,;-.79,.33,;.54,1.1,;1.87,.33,;1.87,-1.21,;.54,-1.98,;-.79,-1.21,;3.21,-1.98,;3.21,-3.52,;4.54,-4.29,;5.88,-3.52,;7.21,-4.29,;8.54,-3.52,;8.94,-2.03,;9.71,-3.37,;5.88,-1.98,;4.54,-1.21,;-9.64,1.1,;-10.97,.33,;-12.31,1.1,;-13.64,.33,;-13.64,-1.21,;-14.97,1.1,;-16.31,.33,)| Show InChI InChI=1S/C34H50N8O3/c1-6-28-33(44)39(4)29-20-35-34(38-31(29)42(28)22(2)3)37-27-14-9-24(19-30(27)45-5)32(43)36-25-10-12-26(13-11-25)41-17-15-40(16-18-41)21-23-7-8-23/h9,14,19-20,22-23,25-26,28H,6-8,10-13,15-18,21H2,1-5H3,(H,36,43)(H,35,37,38)/t25-,26-,28-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615034
(CHEMBL5288130)Show SMILES CC(C)(O)c1cccc(n1)-n1n(C2CCCC=C2)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(CCO)CC3)nc12 |c:17| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615029
(CHEMBL5272346)Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(C2CCCC2)c3=O)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615037
(CHEMBL5285844)Show SMILES CN1CCc2ccc(Nc3ncc4c(n3)n(-c3cccc(C)n3)n(CC=C)c4=O)cc2C1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615032
(CHEMBL5268938)Show SMILES CN(C)C1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(C2CCCC=C2)c3=O)cc1 |c:39| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615030
(CHEMBL5286243)Show SMILES CN1CCc2ccc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(C3CCCC=C3)c4=O)cc2C1 |c:33| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM518537
(2-Allyl-1-(6-(2-hydroxypropan-2-yl)pyridin-2-yl)-6...)Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(CC=C)c4=O)ccc2C(C)(C)C1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50240826
(AZD-1775 | MK-1775 | US11124518, Example AZD1775 |...)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1 Show InChI InChI=1S/C27H32N8O2/c1-5-13-34-25(36)21-18-28-26(29-19-9-11-20(12-10-19)33-16-14-32(4)15-17-33)31-24(21)35(34)23-8-6-7-22(30-23)27(2,3)37/h5-12,18,37H,1,13-17H2,2-4H3,(H,28,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615063
(CHEMBL5285363)Show SMILES CN(C)C1CCN(CC1)c1c(C)cc(Nc2ncc3C(=O)N(C4=NCCN4c3n2)c2c(Cl)cccc2Cl)cc1F |t:23| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615039
(CHEMBL5280668)Show SMILES CN1CCC(C)(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615052
(CHEMBL5283530)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(C2CCC=C2)c3=O)cc1 |c:36| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM518536
(2-Allyl-6-((4,4-dimethyl-1,2,3,4-tetrahydroisoquin...)Show SMILES CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc4c(CNCC4(C)C)c3)nc12 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615051
(CHEMBL5285960)Show SMILES [H][C@]1(CCCC=C1)n1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2c1=O |r,c:5| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615036
(CHEMBL5269559)Show SMILES [H][C@@]1(CCCC=C1)n1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2c1=O |r,c:5| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615054
(CHEMBL5289458)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n([C@@H]2CCC=C2)c3=O)cc1 |r,c:36| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615040
(CHEMBL5289015)Show SMILES C\C=C\n1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc(CN4CCOCC4)cc3)ncc2c1=O | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615066
(CHEMBL5266595)Show SMILES CCn1c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(6.01,-3.86,;4.68,-3.09,;4.68,-1.55,;3.34,-.77,;2,-1.54,;.66,-.77,;-.67,-1.55,;-2,-.78,;-2,.77,;-3.34,1.54,;-4.68,.77,;-4.68,-.78,;-3.34,-1.57,;-6.02,1.55,;-7.36,.78,;-8.69,1.55,;-8.69,3.09,;-10.02,3.86,;-7.36,3.86,;-6.02,3.09,;.66,.77,;2,1.56,;3.34,.78,;4.68,1.55,;6.02,.78,;7.36,1.55,;7.36,3.09,;6.02,3.86,;8.69,3.85,;10.02,3.08,;10.02,1.55,;8.7,.77,;8.7,-.76,;6.02,-.77,;7.36,-1.54,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615050
(CHEMBL5274253)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(C2CCCC=C2)c3=O)cc1 |c:37| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615035
(CHEMBL5291431)Show SMILES CN1Cc2ccc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(C3CCCC=C3)c4=O)cc2C1 |c:32| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615024
(CHEMBL5291362)Show SMILES COc1ccccc1-n1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc4c(CN(C)CC4(C)C)c3)ncc2c1=O |(7.16,5.15,;6.4,3.82,;7.17,2.49,;8.71,2.49,;9.48,1.17,;8.72,-.17,;7.18,-.17,;6.41,1.15,;4.88,1.15,;3.97,-.1,;4.45,-1.56,;3.41,-2.7,;3.89,-4.16,;5.39,-4.48,;6.42,-3.34,;5.95,-1.87,;7.92,-3.67,;8.95,-2.53,;8.31,-5.15,;9.4,-4.06,;2.5,.37,;1.17,-.39,;-.16,.37,;-1.48,-.4,;-2.81,.36,;-2.81,1.91,;-4.15,2.68,;-5.48,1.91,;-5.48,.36,;-6.82,-.41,;-8.16,.38,;-9.48,-.39,;-8.16,1.92,;-6.81,2.69,;-7.89,3.77,;-6.04,4.01,;-4.15,-.42,;-.16,1.91,;1.17,2.69,;2.5,1.92,;3.97,2.4,;4.44,3.86,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615038
(CHEMBL5267993)Show SMILES CN1CCc2ccc(Nc3ncc4c(n3)n(-c3cccc(n3)C(F)(F)F)n(CC=C)c4=O)cc2C1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615064
(CHEMBL5290136)Show SMILES CN1Cc2ccc(Nc3ncc4c(n3)n(C)cc(-c3c(Cl)cccc3Cl)c4=O)cc2C1 |(-9.28,-.41,;-7.75,-.41,;-6.83,.85,;-5.36,.38,;-4.03,1.15,;-2.7,.38,;-2.7,-1.16,;-1.36,-1.93,;-.04,-1.15,;-.04,.39,;1.29,1.17,;2.62,.39,;2.62,-1.15,;1.29,-1.92,;3.96,-1.93,;3.96,-3.46,;5.3,-1.15,;5.3,.39,;6.63,1.16,;6.63,2.69,;5.3,3.46,;7.95,3.45,;9.28,2.69,;9.28,1.16,;7.96,.39,;7.96,-1.14,;3.96,1.16,;3.96,2.7,;-4.03,-1.94,;-5.36,-1.16,;-6.87,-1.63,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615025
(CHEMBL5269631)Show SMILES COc1ccccc1-n1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc4c(CNCC4(C)C)c3)ncc2c1=O |(6.5,5.14,;5.74,3.81,;6.51,2.49,;8.04,2.49,;8.82,1.17,;8.05,-.17,;6.51,-.17,;5.74,1.15,;4.21,1.15,;3.31,-.1,;3.78,-1.56,;2.75,-2.7,;3.22,-4.16,;4.72,-4.48,;5.75,-3.34,;5.29,-1.87,;7.25,-3.66,;8.28,-2.53,;7.65,-5.14,;8.73,-4.06,;1.84,.37,;.51,-.39,;-.82,.37,;-2.15,-.4,;-3.48,.36,;-3.48,1.91,;-4.81,2.68,;-6.14,1.91,;-6.14,.36,;-7.48,-.41,;-8.82,.38,;-8.82,1.92,;-7.47,2.68,;-8.55,3.77,;-6.7,4.01,;-4.81,-.42,;-.82,1.91,;.5,2.69,;1.84,1.92,;3.3,2.4,;3.77,3.85,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615033
(CHEMBL5269511)Show SMILES CN1CCc2cc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(C3CCCC=C3)c4=O)ccc2C1 |c:32| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615060
(CHEMBL5277502)Show SMILES CCCn1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2c1=O | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615056
(CHEMBL5266147)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(C2CCCC2)c3=O)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615053
(CHEMBL5291191)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n([C@H]2CCC=C2)c3=O)cc1 |r,c:36| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615059
(CHEMBL5286445)Show SMILES CC(C)n1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2c1=O | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615026
(CHEMBL5286202)Show SMILES COc1ccccc1-n1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc4CCN(C)Cc4c3)ncc2c1=O |(7.16,5.15,;6.4,3.82,;7.17,2.49,;8.7,2.49,;9.48,1.17,;8.72,-.16,;7.18,-.16,;6.41,1.16,;4.88,1.16,;3.97,-.1,;4.45,-1.55,;3.41,-2.7,;3.89,-4.15,;5.39,-4.48,;6.42,-3.33,;5.95,-1.87,;7.92,-3.66,;8.95,-2.52,;8.32,-5.15,;9.41,-4.06,;2.5,.38,;1.17,-.38,;-.16,.38,;-1.48,-.39,;-2.81,.37,;-2.81,1.91,;-4.14,2.68,;-5.47,1.91,;-6.8,2.69,;-8.15,1.93,;-8.15,.38,;-9.48,-.38,;-6.81,-.4,;-5.47,.37,;-4.14,-.41,;-.16,1.92,;1.17,2.7,;2.5,1.92,;3.97,2.4,;4.44,3.86,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615067
(CHEMBL5275152)Show SMILES CN1CCc2ccc(Nc3cc4n(-c5cc(ccn5)C(C)(C)O)n(CC=C)c(=O)c4cn3)cc2C1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615028
(CHEMBL5285865)Show SMILES CC(C)(O)c1cccc(n1)-n1n(-c2ccccc2F)c(=O)c2cnc(Nc3ccc4c(NCCC4(C)C)c3)nc12 |(8.28,-1.89,;7.25,-3.02,;7.65,-4.5,;8.73,-3.42,;5.75,-2.7,;4.72,-3.84,;3.22,-3.52,;2.75,-2.06,;3.78,-.92,;5.29,-1.23,;3.31,.54,;4.21,1.79,;5.74,1.79,;6.51,.47,;8.05,.47,;8.82,1.81,;8.04,3.13,;6.51,3.13,;5.74,4.45,;3.3,3.04,;3.77,4.49,;1.84,2.56,;.5,3.33,;-.82,2.55,;-.82,1.01,;-2.15,.24,;-3.48,1,;-3.48,2.55,;-4.81,3.31,;-6.14,2.55,;-6.14,1,;-7.48,.23,;-8.82,1.02,;-8.82,2.56,;-7.47,3.32,;-6.47,4.49,;-8.44,4.5,;-4.81,.22,;.51,.25,;1.84,1.01,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615047
(CHEMBL5276665)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(-c2ccccc2C)c3=O)cc1 |(-10.16,5.08,;-8.83,4.31,;-8.83,2.77,;-7.5,2,;-6.16,2.77,;-6.16,4.31,;-7.5,5.08,;-4.83,2,;-3.5,2.77,;-2.16,2,;-2.16,.46,;-.83,-.31,;.51,.46,;.51,2,;1.84,2.77,;3.17,2,;3.17,.46,;1.84,-.31,;4.64,-.02,;5.11,-1.48,;4.08,-2.63,;4.56,-4.09,;6.07,-4.41,;7.1,-3.27,;6.62,-1.8,;8.6,-3.59,;9.63,-2.44,;9,-5.08,;10.09,-3.99,;5.54,1.23,;7.08,1.23,;7.85,-.11,;9.39,-.11,;10.16,1.23,;9.39,2.56,;7.85,2.56,;7.08,3.89,;4.64,2.47,;5.11,3.94,;-3.5,-.31,;-4.83,.46,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615049
(CHEMBL5289449)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(-c2ccccc2)c3=O)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615027
(CHEMBL5286494)Show SMILES COc1ccccc1-n1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc(cc3)C3CCN(C)CC3)ncc2c1=O |(7.84,5.14,;7.08,3.82,;7.84,2.49,;9.38,2.49,;10.15,1.17,;9.39,-.17,;7.85,-.17,;7.08,1.15,;5.55,1.15,;4.64,-.09,;5.11,-1.55,;4.08,-2.69,;4.55,-4.15,;6.05,-4.48,;7.08,-3.34,;6.62,-1.87,;8.58,-3.66,;9.61,-2.53,;8.98,-5.14,;10.06,-4.06,;3.17,.38,;1.84,-.38,;.51,.38,;-.81,-.38,;-2.14,.38,;-3.47,-.4,;-4.81,.37,;-4.81,1.9,;-3.48,2.68,;-2.14,1.92,;-6.14,2.66,;-7.46,1.88,;-8.82,2.64,;-8.82,4.18,;-10.15,4.94,;-7.49,4.95,;-6.14,4.19,;.51,1.93,;1.84,2.7,;3.17,1.93,;4.64,2.4,;5.11,3.86,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615061
(CHEMBL5266086)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(C)c3=O)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615045
(CHEMBL5274503)Show SMILES COc1ccccc1-n1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2c1=O |(7.84,5.14,;7.08,3.82,;7.85,2.49,;9.38,2.49,;10.15,1.17,;9.39,-.17,;7.85,-.17,;7.08,1.15,;5.55,1.15,;4.64,-.09,;5.11,-1.55,;4.08,-2.69,;4.55,-4.15,;6.05,-4.48,;7.08,-3.34,;6.62,-1.87,;8.58,-3.66,;9.61,-2.53,;8.98,-5.14,;10.06,-4.06,;3.17,.38,;1.84,-.38,;.51,.38,;-.81,-.38,;-2.14,.38,;-3.47,-.4,;-4.81,.37,;-4.81,1.9,;-3.48,2.68,;-2.14,1.92,;-6.14,2.66,;-6.14,4.2,;-7.5,4.96,;-8.82,4.18,;-10.15,4.94,;-8.82,2.65,;-7.48,1.89,;.51,1.93,;1.84,2.7,;3.17,1.93,;4.64,2.4,;5.11,3.86,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
| n/a | n/a | 9.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615055
(CHEMBL5277202)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(C2CCCCC2)c3=O)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615068
(CHEMBL5272327)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)c2n(C)ccc12 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615058
(CHEMBL5269419)Show SMILES COCCn1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2c1=O | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615043
(CHEMBL5269582)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(-c2cccc(Cl)c2)c3=O)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50615068
(CHEMBL5272327)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)c2n(C)ccc12 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM518537
(2-Allyl-1-(6-(2-hydroxypropan-2-yl)pyridin-2-yl)-6...)Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(CC=C)c4=O)ccc2C(C)(C)C1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615044
(CHEMBL5280254)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(-c2cccc(C)c2)c3=O)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615051
(CHEMBL5285960)Show SMILES [H][C@]1(CCCC=C1)n1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2c1=O |r,c:5| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615048
(CHEMBL5265766)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(-c2ccccn2)c3=O)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615057
(CHEMBL5287283)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC2CCC2)c3=O)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono
Curated by ChEMBL
| Assay Description
Inhibition of human cRAF using [gamma-33P-ATP] as a substrate by scintillation counting |
Bioorg Med Chem Lett 21: 2264-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.108
BindingDB Entry DOI: 10.7270/Q2MS3T23 |
More data for this
Ligand-Target Pair | |
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