Found 1025 hits with Last Name = 'kamaura' and Initial = 'm' 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 |
|---|
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM659822
(N-Cyclopropyl-7-hydroxy-4-isobutyl-5-oxo-3-((pyrid...)Show SMILES CC(C)Cn1c2c(COc3cccnc3)cnn2c(O)c(C(=O)NC2CC2)c1=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| UniChem
| | n/a | n/a | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50383116
(CHEMBL2031736)Show SMILES Cc1c(NC(=O)c2ccc(cc2)-c2ccc(Cl)cc2)ccc2cc(CN3CCCC3)cnc12 Show InChI InChI=1S/C28H26ClN3O/c1-19-26(13-10-24-16-20(17-30-27(19)24)18-32-14-2-3-15-32)31-28(33)23-6-4-21(5-7-23)22-8-11-25(29)12-9-22/h4-13,16-17H,2-3,14-15,18H2,1H3,(H,31,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.360 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 1 hr by scintillation counting |
J Med Chem 55: 2353-66 (2012)
Article DOI: 10.1021/jm201596h
BindingDB Entry DOI: 10.7270/Q2GH9JZQ |
More data for this
Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM659957
(N-Cyclopropyl-4-hydroxy-1-neopentyl-2,8-dioxo-1,2,...)Show SMILES CC(C)(C)Cn1c2c3ccc(=O)[nH]c3nn2c(O)c(C(=O)NC2CC2)c1=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.390 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM660316
(3-((E)-3-((1S,4S)-2-Oxa-5-azabicyclo[2.2.1]heptan-...)Show SMILES CC(C)Cn1c2c(\C=C\C(=O)N3C[C@@H]4C[C@H]3CO4)c(C)nn2c(O)c(C(=O)NC2CC2)c1=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.480 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50351324
(CHEMBL1818901)Show SMILES Fc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2C=C(CN3CCCC3)CCc2c1 |t:22| Show InChI InChI=1S/C28H27FN2O/c29-26-12-9-22(10-13-26)21-5-7-23(8-6-21)28(32)30-27-14-11-24-17-20(3-4-25(24)18-27)19-31-15-1-2-16-31/h5-14,17-18H,1-4,15-16,19H2,(H,30,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.530 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [3H]mesulergine from human 5HT2C receptor expressed in CHO cells after 1 hr by scintillation counting |
J Med Chem 55: 2353-66 (2012)
Article DOI: 10.1021/jm201596h
BindingDB Entry DOI: 10.7270/Q2GH9JZQ |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50383114
(CHEMBL2031734)Show SMILES COc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2cc(CN3CCCC3)cnc2c1C Show InChI InChI=1S/C29H29N3O2/c1-20-27(14-11-25-17-21(18-30-28(20)25)19-32-15-3-4-16-32)31-29(33)24-7-5-22(6-8-24)23-9-12-26(34-2)13-10-23/h5-14,17-18H,3-4,15-16,19H2,1-2H3,(H,31,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.530 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 1 hr by scintillation counting |
J Med Chem 55: 2353-66 (2012)
Article DOI: 10.1021/jm201596h
BindingDB Entry DOI: 10.7270/Q2GH9JZQ |
More data for this
Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM659933
((R,E)-N-Cyclopropyl-7-hydroxy-4-((1-methylcyclopro...)Show SMILES C[C@@H]1COCCN1C(=O)\C=C\c1cnn2c(O)c(C(=O)NC3CC3)c(=O)n(CC3(C)CC3)c12 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.540 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50383112
(CHEMBL2029372)Show SMILES Cc1c(NC(=O)c2ccc(cc2)-c2ccc(F)cc2)ccc2cc(CN3CCCC3)cnc12 Show InChI InChI=1S/C28H26FN3O/c1-19-26(13-10-24-16-20(17-30-27(19)24)18-32-14-2-3-15-32)31-28(33)23-6-4-21(5-7-23)22-8-11-25(29)12-9-22/h4-13,16-17H,2-3,14-15,18H2,1H3,(H,31,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.540 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 60 mins by liquid scintillation counting |
J Med Chem 55: 4336-51 (2012)
Article DOI: 10.1021/jm300167z
BindingDB Entry DOI: 10.7270/Q2JS9RHR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50383112
(CHEMBL2029372)Show SMILES Cc1c(NC(=O)c2ccc(cc2)-c2ccc(F)cc2)ccc2cc(CN3CCCC3)cnc12 Show InChI InChI=1S/C28H26FN3O/c1-19-26(13-10-24-16-20(17-30-27(19)24)18-32-14-2-3-15-32)31-28(33)23-6-4-21(5-7-23)22-8-11-25(29)12-9-22/h4-13,16-17H,2-3,14-15,18H2,1H3,(H,31,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.540 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 1 hr by scintillation counting |
J Med Chem 55: 2353-66 (2012)
Article DOI: 10.1021/jm201596h
BindingDB Entry DOI: 10.7270/Q2GH9JZQ |
More data for this
Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM659935
((R,E)-N-Cyclopropyl-7-hydroxy-3-(3-(3-(methoxymeth...)Show SMILES COC[C@@H]1COCCN1C(=O)\C=C\c1cnn2c(O)c(C(=O)NC3CC3)c(=O)n(CC3(C)CC3)c12 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.550 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM660095
((R,E)-N-Cyclopropyl-7-hydroxy-4-isobutyl-3-(3-(3-(...)Show SMILES COC[C@@H]1COCCN1C(=O)\C=C\c1cnn2c(O)c(C(=O)NC3CC3)c(=O)n(CC(C)C)c12 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.550 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM659964
(N-Cyclopropyl-9-hydroxy-6-neopentyl-2,7-dioxo-1,2,...)Show SMILES CC(C)(C)Cn1c2c3CCOC(=O)Nc3nn2c(O)c(C(=O)NC2CC2)c1=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.560 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM660080
((E)-N-Cyclopropyl-7-hydroxy-4-isobutyl-3-(3-((2-me...)Show SMILES COCCNC(=O)\C=C\c1cnn2c(O)c(C(=O)NC3CC3)c(=O)n(CC(C)C)c12 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.570 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM660019
((E)-3-(3-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-o...)Show SMILES CC(C)Cn1c2c(\C=C\C(=O)N3CC4CCC(C3)O4)cnn2c(O)c(C(=O)NC2CC2)c1=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.580 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM659932
((S,E)-N-Cyclopropyl-7-hydroxy-4-((1-methylcyclopro...)Show SMILES C[C@H]1COCCN1C(=O)\C=C\c1cnn2c(O)c(C(=O)NC3CC3)c(=O)n(CC3(C)CC3)c12 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.580 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM660077
((E)-N-Cyclopropyl-3-(3-(1,1-dioxidothiomorpholino)...)Show SMILES CC(C)Cn1c2c(\C=C\C(=O)N3CCS(=O)(=O)CC3)cnn2c(O)c(C(=O)NC2CC2)c1=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.580 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM660060
((E)-N-Cyclopropyl-3-(3-(cyclopropyl(methyl)amino)-...)Show SMILES CC(C)Cn1c2c(\C=C\C(=O)N(C)C3CC3)cnn2c(O)c(C(=O)NC2CC2)c1=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.590 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM659980
((S,E)-2-Amino-N-cyclopropyl-7-hydroxy-4-isobutyl-3...)Show SMILES CC(C)Cn1c2c(\C=C\C(=O)N3CCOC[C@@H]3C)c(N)nn2c(O)c(C(=O)NC2CC2)c1=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.590 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM659979
((E)-2-Amino-N-cyclopropyl-7-hydroxy-4-isobutyl-3-(...)Show SMILES CC(C)Cn1c2c(\C=C\C(=O)N3CCOCC3)c(N)nn2c(O)c(C(=O)NC2CC2)c1=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.590 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM660084
((S,E)-N-Cyclopropyl-7-hydroxy-3-(3-(2-(hydroxymeth...)Show SMILES CC(C)Cn1c2c(\C=C\C(=O)N3CCO[C@H](CO)C3)cnn2c(O)c(C(=O)NC2CC2)c1=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.590 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM660013
((E)-N6-Cyclopropyl-7-hydroxy-4-isobutyl-3-(3-morph...)Show SMILES CC(C)Cn1c2c(\C=C\C(=O)N3CCOCC3)c(nn2c(O)c(C(=O)NC2CC2)c1=O)C(N)=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM659949
((E)-N-Cyclopropyl-7-hydroxy-4-((4-methyltetrahydro...)Show SMILES CC1(Cn2c3c(\C=C\C(=O)N4CCOCC4)cnn3c(O)c(C(=O)NC3CC3)c2=O)CCOCC1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM660318
(N-Cyclopropyl-3-((E)-3-(trans-3,4-difluoropyrrolid...)Show SMILES CC(C)Cn1c2c(\C=C\C(=O)N3C[C@H](F)[C@@H](F)C3)c(C)nn2c(O)c(C(=O)NC2CC2)c1=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.610 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM660079
((E)-N-Cyclopropyl-7-hydroxy-4-isobutyl-5-oxo-3-(3-...)Show SMILES CC(C)Cn1c2c(\C=C\C(=O)N3CCC(=O)C3)cnn2c(O)c(C(=O)NC2CC2)c1=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.610 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM659981
((R,E)-2-Amino-N-cyclopropyl-7-hydroxy-4-isobutyl-3...)Show SMILES CC(C)Cn1c2c(\C=C\C(=O)N3CCOC[C@H]3C)c(N)nn2c(O)c(C(=O)NC2CC2)c1=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.610 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM659934
((S,E)-N-Cyclopropyl-7-hydroxy-3-(3-(3-(methoxymeth...)Show SMILES COC[C@H]1COCCN1C(=O)\C=C\c1cnn2c(O)c(C(=O)NC3CC3)c(=O)n(CC3(C)CC3)c12 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.610 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM659966
(N-Cyclopropyl-4-hydroxy-1-neopentyl-2,8-dioxo-1,2,...)Show SMILES CC(C)(C)Cn1c2c3CCC(=O)Nc3nn2c(O)c(C(=O)NC2CC2)c1=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.610 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM659931
((E)-3-(3-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-o...)Show SMILES CC1(Cn2c3c(\C=C\C(=O)N4CC5CCC(C4)O5)cnn3c(O)c(C(=O)NC3CC3)c2=O)CC1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.610 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM659930
((E)-3-(3-(3-Oxa-8-azabicyclo[3.2.1]octan-8-yl)-3-o...)Show SMILES CC1(Cn2c3c(\C=C\C(=O)N4C5CCC4COC5)cnn3c(O)c(C(=O)NC3CC3)c2=O)CC1 |THB:8:10:15.16.17:12.13| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.620 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM660119
(N-Cyclopropyl-3-((E)-3-((3R,5R)-3,5-dimethylmorpho...)Show SMILES CC(C)Cn1c2c(\C=C\C(=O)N3[C@H](C)COC[C@H]3C)cnn2c(O)c(C(=O)NC2CC2)c1=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.620 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM660145
((E)-N-Cyclopropyl-7-hydroxy-2-methyl-3-(3-morpholi...)Show SMILES Cc1nn2c(O)c(C(=O)NC3CC3)c(=O)n(CC(C)(C)C)c2c1\C=C\C(=O)N1CCOCC1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM659927
((E)-N-Cyclopropyl-4-((1-fluorocyclopropyl)methyl)-...)Show SMILES Oc1c(C(=O)NC2CC2)c(=O)n(CC2(F)CC2)c2c(\C=C\C(=O)N3CCOCC3)cnn12 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM659967
(N-Cyclopropyl-4-hydroxy-1-isobutyl-2,8-dioxo-1,2,7...)Show SMILES CC(C)Cn1c2c3CCC(=O)Nc3nn2c(O)c(C(=O)NC2CC2)c1=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM659965
(N-Cyclopropyl-7-hydroxy-4-neopentyl-2,5-dioxo-2,3,...)Show SMILES CC(C)(C)Cn1c2c3CC(=O)Nc3nn2c(O)c(C(=O)NC2CC2)c1=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM660244
((E)-3-(3-((Cyanomethyl)(methyl)amino)-3-oxoprop-1-...)Show SMILES CC(C)Cn1c2c(\C=C\C(=O)N(C)CC#N)c(C)nn2c(O)c(C(=O)NC2CC2)c1=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.640 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM660096
((E)-3-(3-(3-Oxa-8-azabicyclo[3.2.1]octan-8-yl)-3-o...)Show SMILES CC(C)Cn1c2c(\C=C\C(=O)N3C4CCC3COC4)cnn2c(O)c(C(=O)NC2CC2)c1=O |THB:9:11:16.17.18:13.14| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.640 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM659784
(N6-Cyclopropyl-7-hydroxy-4-isobutyl-5-oxo-N3-((tet...)Show SMILES CC(C)Cn1c2c(cnn2c(O)c(C(=O)NC2CC2)c1=O)C(=O)NCC1CCOCC1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.640 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM660040
((E)-3-(3-(4-Carbamoylpiperidin-1-yl)-3-oxoprop-1-e...)Show SMILES CC(C)Cn1c2c(\C=C\C(=O)N3CCC(CC3)C(N)=O)cnn2c(O)c(C(=O)NC2CC2)c1=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.640 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM660102
(3-((E)-3-((1S,4S)-2-Oxa-5-azabicyclo[2.2.1]heptan-...)Show SMILES CC(C)Cn1c2c(\C=C\C(=O)N3C[C@@H]4C[C@H]3CO4)cnn2c(O)c(C(=O)NC2CC2)c1=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.640 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM660088
((S,E)-N-Cyclopropyl-7-hydroxy-3-(3-(3-(hydroxymeth...)Show SMILES CC(C)Cn1c2c(\C=C\C(=O)N3CCOC[C@@H]3CO)cnn2c(O)c(C(=O)NC2CC2)c1=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM659937
(3-((E)-3-((1S,4S)-2-Oxa-5-azabicyclo[2.2.1]heptan-...)Show SMILES CC1(Cn2c3c(\C=C\C(=O)N4C[C@H]5C[C@@H]4CO5)cnn3c(O)c(C(=O)NC3CC3)c2=O)CC1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM659938
(3-((E)-3-((1S,4S)-2-Oxa-5-azabicyclo[2.2.1]heptan-...)Show SMILES Oc1c(C(=O)NC2CC2)c(=O)n(CC2(F)CC2)c2c(\C=C\C(=O)N3C[C@H]4C[C@@H]3CO4)cnn12 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM659974
((E)-2-Amino-N-cyclopropyl-7-hydroxy-3-(3-morpholin...)Show SMILES CC(C)(C)Cn1c2c(\C=C\C(=O)N3CCOCC3)c(N)nn2c(O)c(C(=O)NC2CC2)c1=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM659928
((E)-N-Cyclopropyl-7-hydroxy-4-(2-methoxy-2-methylp...)Show SMILES COC(C)(C)Cn1c2c(\C=C\C(=O)N3CCOCC3)cnn2c(O)c(C(=O)NC2CC2)c1=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM659771
(N6-Cyclopropyl-7-hydroxy-4-neopentyl-5-oxo-4,5-dih...)Show SMILES CC(C)(C)Cn1c2cc(nn2c(O)c(C(=O)NC2CC2)c1=O)C(N)=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.650 | 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 | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM659790
(N-Cyclopropyl-7-hydroxy-4-isobutyl-3-(morpholine-4...)Show SMILES CC(C)Cn1c2c(cnn2c(O)c(C(=O)NC2CC2)c1=O)C(=O)N1CCOCC1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM659794
(N6-Cyclopropyl-7-hydroxy-4-isobutyl-5-oxo-N3-(pyri...)Show SMILES CC(C)Cn1c2c(cnn2c(O)c(C(=O)NC2CC2)c1=O)C(=O)NCc1ncccn1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM660006
((E)-2-Amino-N-cyclopropyl-7-hydroxy-5-oxo-4-((tetr...)Show SMILES Nc1nn2c(O)c(C(=O)NC3CC3)c(=O)n(CC3CCOCC3)c2c1\C=C\C1CCOCC1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM660103
((R,E)-N-Cyclopropyl-3-(3-(3-ethylmorpholino)-3-oxo...)Show SMILES CC[C@@H]1COCCN1C(=O)\C=C\c1cnn2c(O)c(C(=O)NC3CC3)c(=O)n(CC(C)C)c12 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.660 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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Ligand-Target Pair | |
Sepiapterin reductase
(Homo sapiens (Human)) | BDBM660108
((S,E)-7-Hydroxy-4-isobutyl-3-(3-morpholino-3-oxopr...)Show SMILES CC(C)Cn1c2c(\C=C\C(=O)N3CCOCC3)cnn2c(O)c(C(=O)N[C@@H](C)C(F)(F)F)c1=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.660 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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Ligand-Target Pair | |
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