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Compile Data Set for Download or QSAR

Found 255 hits with Last Name = 'hugelshofer' and Initial = 'cl'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627271
PNG
(3-[3-(cyclopropoxy)phenyl]- 1-isopropyl-N-(3-methy...)
Show SMILES CC(C)n1nc(-c2cccc(OC3CC3)c2)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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n/an/a 0.900n/an/an/an/an/an/a


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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627271
PNG
(3-[3-(cyclopropoxy)phenyl]- 1-isopropyl-N-(3-methy...)
Show SMILES CC(C)n1nc(-c2cccc(OC3CC3)c2)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627182
PNG
(3-(3-(difluoromethoxy)phenyl)-4- fluoro-1-isopropy...)
Show SMILES CC(C)n1nc(-c2cccc(OC(F)F)c2)c2c(F)cc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627288
PNG
(3-(5-(difluoromethoxy)-2- fluorophenyl)-1-isopropy...)
Show SMILES CC(C)n1nc(-c2cc(OC(F)F)ccc2F)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627288
PNG
(3-(5-(difluoromethoxy)-2- fluorophenyl)-1-isopropy...)
Show SMILES CC(C)n1nc(-c2cc(OC(F)F)ccc2F)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627228
PNG
(3-[3-(difluoromethoxy)phenyl]- N-(3-methyl-1,1-dio...)
Show SMILES CC[C@H](C)n1nc(-c2cccc(OC(F)F)c2)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1 |r|
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627228
PNG
(3-[3-(difluoromethoxy)phenyl]- N-(3-methyl-1,1-dio...)
Show SMILES CC[C@H](C)n1nc(-c2cccc(OC(F)F)c2)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1 |r|
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627185
PNG
(3-(5-(difluoromethoxy)-2- fluorophenyl)-1-isopropy...)
Show SMILES CC(C)n1nc(-c2cc(OC(F)F)ccc2F)c2cnc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627264
PNG
(4-cyano-3-(3- (difluoromethoxy)phenyl)-1- isopropy...)
Show SMILES CC(C)n1nc(-c2cccc(OC(F)F)c2)c2c(cc(cc12)C(=O)NC1(C)CS(=O)(=O)C1)C#N
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627264
PNG
(4-cyano-3-(3- (difluoromethoxy)phenyl)-1- isopropy...)
Show SMILES CC(C)n1nc(-c2cccc(OC(F)F)c2)c2c(cc(cc12)C(=O)NC1(C)CS(=O)(=O)C1)C#N
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627301
PNG
(3-(3- (difluoromethoxy)phenyl)- 1-(3-hydroxy-3- me...)
Show SMILES C[C@@H](n1nc(-c2cccc(OC(F)F)c2)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1)C(C)(C)O |r|
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627301
PNG
(3-(3- (difluoromethoxy)phenyl)- 1-(3-hydroxy-3- me...)
Show SMILES C[C@@H](n1nc(-c2cccc(OC(F)F)c2)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1)C(C)(C)O |r|
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627262
PNG
(3-(3-(difluoromethoxy)phenyl)-1- (3,3-dimethylcycl...)
Show SMILES CC1(C)CC(C1)n1nc(-c2cccc(OC(F)F)c2)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627262
PNG
(3-(3-(difluoromethoxy)phenyl)-1- (3,3-dimethylcycl...)
Show SMILES CC1(C)CC(C1)n1nc(-c2cccc(OC(F)F)c2)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627290
PNG
(3-(5-ethoxy-2-fluorophenyl)- 1-isopropyl-N-(3-meth...)
Show SMILES CCOc1ccc(F)c(c1)-c1nn(C(C)C)c2cc(cnc12)C(=O)NC1(C)CS(=O)(=O)C1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627290
PNG
(3-(5-ethoxy-2-fluorophenyl)- 1-isopropyl-N-(3-meth...)
Show SMILES CCOc1ccc(F)c(c1)-c1nn(C(C)C)c2cc(cnc12)C(=O)NC1(C)CS(=O)(=O)C1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627181
PNG
(3-(3-(difluoromethoxy)phenyl)-1- isopropyl-N-(4-me...)
Show SMILES CC(C)n1nc(-c2cccc(OC(F)F)c2)c2ncc(cc12)C(=O)NC1(C)CCS(=O)(=O)CC1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627248
PNG
(3-(3-(difluoromethoxy)phenyl)-1- (3-hydroxybutan-2...)
Show SMILES C[C@H](O)[C@@H](C)n1nc(-c2cccc(OC(F)F)c2)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1 |r|
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM652893
PNG
(3-(3-(difluoromethoxy)phenyl)-1- (3-hydroxybutan-2...)
Show SMILES CC(O)[C@H](C)n1nc(-c2cccc(OC(F)F)c2)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1 |r|
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627183
PNG
(3-(3-(difluoromethoxy)phenyl)-7- fluoro-1-isopropy...)
Show SMILES CC(C)n1nc(-c2cccc(OC(F)F)c2)c2ccc(C(=O)NC3(C)CS(=O)(=O)C3)c(F)c12
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627287
PNG
(3-(3-cyclopropylphenyl)-1- (2-hydroxy-2-methylprop...)
Show SMILES CC(C)(O)Cn1nc(-c2cccc(c2)C2CC2)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627287
PNG
(3-(3-cyclopropylphenyl)-1- (2-hydroxy-2-methylprop...)
Show SMILES CC(C)(O)Cn1nc(-c2cccc(c2)C2CC2)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627205
PNG
(3-(3-(difluoromethoxy)phenyl)-N-(1- (hydroxymethyl...)
Show SMILES CC(C)n1nc(-c2cccc(OC(F)F)c2)c2ncc(cc12)C(=O)NC1(CO)CCC1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627203
PNG
(3-(3-(difluoromethoxy)phenyl)-1- isopropyl-N-(3- m...)
Show SMILES CC(C)Nc1cc(cnc1C(=N)c1cccc(OC(F)F)c1)C(=O)NC1(C)CCOC1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627161
PNG
((S)-3-(3- (difluoromethoxy)phenyl)-1-(4- fluorophe...)
Show SMILES C[C@@]1(CCS(=O)(=O)C1)NC(=O)c1cnc2c(nn(-c3ccc(F)cc3)c2c1)-c1cccc(OC(F)F)c1 |r|
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627161
PNG
((S)-3-(3- (difluoromethoxy)phenyl)-1-(4- fluorophe...)
Show SMILES C[C@@]1(CCS(=O)(=O)C1)NC(=O)c1cnc2c(nn(-c3ccc(F)cc3)c2c1)-c1cccc(OC(F)F)c1 |r|
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627266
PNG
(3-[3-(2,2- difluoroethoxy)phenyl]-1- isopropyl-N-(...)
Show SMILES CC(C)n1nc(-c2cccc(OCC(F)F)c2)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627266
PNG
(3-[3-(2,2- difluoroethoxy)phenyl]-1- isopropyl-N-(...)
Show SMILES CC(C)n1nc(-c2cccc(OCC(F)F)c2)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627295
PNG
(3-(2-chloro-5- (difluoromethoxy)phenyl)-1- isoprop...)
Show SMILES CC(C)n1nc(-c2cc(OC(F)F)ccc2Cl)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627180
PNG
((S)-3-(3-(difluoromethoxy)phenyl)- 1-isopropyl-N-(...)
Show SMILES CC(C)n1nc(-c2cccc(OC(F)F)c2)c2ncc(cc12)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 |r|
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627295
PNG
(3-(2-chloro-5- (difluoromethoxy)phenyl)-1- isoprop...)
Show SMILES CC(C)n1nc(-c2cc(OC(F)F)ccc2Cl)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627246
PNG
(3-(3-(difluoromethoxy)phenyl)-1- (2,2-dimethyltetr...)
Show SMILES CC1(CS(=O)(=O)C1)NC(=O)c1cnc2c(nn([C@H]3CCOC(C)(C)C3)c2c1)-c1cccc(OC(F)F)c1 |r|
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627246
PNG
(3-(3-(difluoromethoxy)phenyl)-1- (2,2-dimethyltetr...)
Show SMILES CC1(CS(=O)(=O)C1)NC(=O)c1cnc2c(nn([C@H]3CCOC(C)(C)C3)c2c1)-c1cccc(OC(F)F)c1 |r|
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627297
PNG
(3-(5-fluoro-2-(2,2,2- trifluoroethoxy)pyridin-4-yl...)
Show SMILES CC(C)n1nc(-c2cc(OCC(F)(F)F)ncc2F)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627297
PNG
(3-(5-fluoro-2-(2,2,2- trifluoroethoxy)pyridin-4-yl...)
Show SMILES CC(C)n1nc(-c2cc(OCC(F)(F)F)ncc2F)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627296
PNG
(3-(2-(2,2-difluoroethoxy)-5- fluoropyridin-4-yl)-1...)
Show SMILES CC(C)n1nc(-c2cc(OCC(F)F)ncc2F)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627296
PNG
(3-(2-(2,2-difluoroethoxy)-5- fluoropyridin-4-yl)-1...)
Show SMILES CC(C)n1nc(-c2cc(OCC(F)F)ncc2F)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627242
PNG
(3-(3-(difluoromethoxy)phenyl)-1- (3-fluorotetrahyd...)
Show SMILES CC1(CS(=O)(=O)C1)NC(=O)c1cnc2c(nn(C3CCOC[C@H]3F)c2c1)-c1cccc(OC(F)F)c1 |r|
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627242
PNG
(3-(3-(difluoromethoxy)phenyl)-1- (3-fluorotetrahyd...)
Show SMILES CC1(CS(=O)(=O)C1)NC(=O)c1cnc2c(nn(C3CCOC[C@H]3F)c2c1)-c1cccc(OC(F)F)c1 |r|
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627292
PNG
(3-(5-cyclopropyl-2- fluorophenyl)-1-isopropyl-N- (...)
Show SMILES CC(C)n1nc(-c2cc(ccc2F)C2CC2)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627292
PNG
(3-(5-cyclopropyl-2- fluorophenyl)-1-isopropyl-N- (...)
Show SMILES CC(C)n1nc(-c2cc(ccc2F)C2CC2)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627303
PNG
(3-(5-(difluoromethoxy)-2- fluorophenyl)-1-(3- hydr...)
Show SMILES C[C@@H](n1nc(-c2cc(OC(F)F)ccc2F)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1)C(C)(C)O |r|
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627158
PNG
((S)-3-(3-(difluoromethoxy)phenyl)- 1-(4-fluorophen...)
Show SMILES C[C@@]1(CCS(=O)(=O)C1)NC(=O)c1cc2n(nc(-c3cccc(OC(F)F)c3)c2cn1)-c1ccc(F)cc1 |r|
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More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627303
PNG
(3-(5-(difluoromethoxy)-2- fluorophenyl)-1-(3- hydr...)
Show SMILES C[C@@H](n1nc(-c2cc(OC(F)F)ccc2F)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1)C(C)(C)O |r|
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627284
PNG
(3-(5-cyclobutoxy-2- fluorophenyl)-1-isopropyl-N- (...)
Show SMILES CC(C)n1nc(-c2cc(OC3CCC3)ccc2F)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627187
PNG
(N-[(3S)-3-cyanotetrahydrofuran-3- yl]-3-[3-(difluo...)
Show SMILES CC(C)n1nc(-c2cccc(OC(F)F)c2)c2ncc(cc12)C(=O)N[C@@]1(CCOC1)C#N |r|
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More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627158
PNG
((S)-3-(3-(difluoromethoxy)phenyl)- 1-(4-fluorophen...)
Show SMILES C[C@@]1(CCS(=O)(=O)C1)NC(=O)c1cc2n(nc(-c3cccc(OC(F)F)c3)c2cn1)-c1ccc(F)cc1 |r|
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More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627284
PNG
(3-(5-cyclobutoxy-2- fluorophenyl)-1-isopropyl-N- (...)
Show SMILES CC(C)n1nc(-c2cc(OC3CCC3)ccc2F)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627291
PNG
((S)-1-(sec-butyl)-3-(2- (difluoromethoxy)-5- fluor...)
Show SMILES CC[C@H](C)n1nc(-c2cc(OC(F)F)ncc2F)c2ncc(cc12)C(=O)NC1(C)CCS(=O)(=O)CC1 |r|
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More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627291
PNG
((S)-1-(sec-butyl)-3-(2- (difluoromethoxy)-5- fluor...)
Show SMILES CC[C@H](C)n1nc(-c2cc(OC(F)F)ncc2F)c2ncc(cc12)C(=O)NC1(C)CCS(=O)(=O)CC1 |r|
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Ligand-Target Pair
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