Found 23 hits of ic50 for UniProtKB: P48735 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 |
|---|
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q]
(Homo sapiens (Human)) | BDBM497335
(7-[[(1S)-1-[4-[(1S)-2- cyclopropyl-1-(4-prop-2- en...)Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@H](CC3CC3)N3CCN(CC3)C(=O)C=C)nc12 |r| Show InChI InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24-/m0/s1 | PDB
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| | n/a | n/a | 36.9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q]
(Homo sapiens (Human)) | BDBM497335
(7-[[(1S)-1-[4-[(1S)-2- cyclopropyl-1-(4-prop-2- en...)Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@H](CC3CC3)N3CCN(CC3)C(=O)C=C)nc12 |r| Show InChI InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24-/m0/s1 | PDB
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| | n/a | n/a | 36.9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
BindingDB Entry DOI: 10.7270/Q2M90DKW |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q]
(Homo sapiens (Human)) | BDBM600741
(US11629156, Example 8)Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@H](CC(C)C)N3CCN(CC3)C(=O)C=C)nc12 |r| | PDB
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| | n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q]
(Homo sapiens (Human)) | BDBM497348
(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CC(C)C)N3CCN(CC3)C(=O)C=C)nc12 |r| Show InChI InChI=1S/C28H38N6O3/c1-6-25(35)33-14-12-32(13-15-33)24(16-19(3)4)22-10-8-21(9-11-22)20(5)30-27-29-17-23-18-37-28(36)34(7-2)26(23)31-27/h6,8-11,17,19-20,24H,1,7,12-16,18H2,2-5H3,(H,29,30,31)/t20-,24?/m0/s1 | PDB
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| | n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
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Citation and Details
BindingDB Entry DOI: 10.7270/Q2M90DKW |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q]
(Homo sapiens (Human)) | BDBM603024
(1-Ethyl-7-[[(1S)-1-[4- [(1R/S)-1-(4-prop-2- enoylp...)Show SMILES CCC(N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1ncc2COC(=O)N(CC)c2n1 |r| | PDB
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| | n/a | n/a | 54.3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2M90DKW |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q]
(Homo sapiens (Human)) | BDBM497353
(1-Ethyl-7-[[(1S)-1-[4- [(1R/S)-1-(4-prop-2- enoylp...)Show SMILES CCC(N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1ncc2COC(=O)N(CC)c2n1 |r| Show InChI InChI=1S/C26H34N6O3/c1-5-22(30-12-14-31(15-13-30)23(33)6-2)20-10-8-19(9-11-20)18(4)28-25-27-16-21-17-35-26(34)32(7-3)24(21)29-25/h6,8-11,16,18,22H,2,5,7,12-15,17H2,1,3-4H3,(H,27,28,29)/t18-,22?/m0/s1 | PDB
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| | n/a | n/a | 54.3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q]
(Homo sapiens (Human)) | BDBM497337
(7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpi...)Show SMILES C[C@H](Nc1ncc2COC(=O)N(C)c2n1)c1ccc(cc1)C(CC1CC1)N1CCN(CC1)C(=O)C=C |r| Show InChI InChI=1S/C27H34N6O3/c1-4-24(34)33-13-11-32(12-14-33)23(15-19-5-6-19)21-9-7-20(8-10-21)18(2)29-26-28-16-22-17-36-27(35)31(3)25(22)30-26/h4,7-10,16,18-19,23H,1,5-6,11-15,17H2,2-3H3,(H,28,29,30)/t18-,23?/m0/s1 | PDB
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| PC cid
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| | n/a | n/a | 64.8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q]
(Homo sapiens (Human)) | BDBM603011
(7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpi...)Show SMILES C[C@H](Nc1ncc2COC(=O)N(C)c2n1)c1ccc(cc1)C(CC1CC1)N1CCN(CC1)C(=O)C=C |r| | PDB
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| PC cid
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UniChem
| | n/a | n/a | 64.8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2M90DKW |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q]
(Homo sapiens (Human)) | BDBM497348
(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CC(C)C)N3CCN(CC3)C(=O)C=C)nc12 |r| Show InChI InChI=1S/C28H38N6O3/c1-6-25(35)33-14-12-32(13-15-33)24(16-19(3)4)22-10-8-21(9-11-22)20(5)30-27-29-17-23-18-37-28(36)34(7-2)26(23)31-27/h6,8-11,17,19-20,24H,1,7,12-16,18H2,2-5H3,(H,29,30,31)/t20-,24?/m0/s1 | PDB
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| | n/a | n/a | 74.3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
BindingDB Entry DOI: 10.7270/Q2M90DKW |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q]
(Homo sapiens (Human)) | BDBM600740
(US11629156, Example 7)Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@@H](CC(C)C)N3CCN(CC3)C(=O)C=C)nc12 |r| | PDB
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| PC cid
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| | n/a | n/a | 74.3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q]
(Homo sapiens (Human)) | BDBM603011
(7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpi...)Show SMILES C[C@H](Nc1ncc2COC(=O)N(C)c2n1)c1ccc(cc1)C(CC1CC1)N1CCN(CC1)C(=O)C=C |r| | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| | n/a | n/a | 81.1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2M90DKW |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q]
(Homo sapiens (Human)) | BDBM600742
(US11629156, Example 4)Show SMILES C[C@H](Nc1ncc2COC(=O)N(C)c2n1)c1ccc(cc1)[C@H](CC1CC1)N1CCN(CC1)C(=O)C=C |r| | PDB
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| PC cid
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UniChem
| | n/a | n/a | 81.1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q]
(Homo sapiens (Human)) | BDBM497334
(7-[[(1S)-1-[4-[(1R)-2-Cyclopropyl-1-(4-prop-2-enoy...)Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@@H](CC3CC3)N3CCN(CC3)C(=O)C=C)nc12 |r| Show InChI InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24+/m0/s1 | PDB
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| PC cid
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| | n/a | n/a | 113 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q]
(Homo sapiens (Human)) | BDBM497334
(7-[[(1S)-1-[4-[(1R)-2-Cyclopropyl-1-(4-prop-2-enoy...)Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@@H](CC3CC3)N3CCN(CC3)C(=O)C=C)nc12 |r| Show InChI InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24+/m0/s1 | PDB
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| PC cid
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| | n/a | n/a | 113 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
BindingDB Entry DOI: 10.7270/Q2M90DKW |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q]
(Homo sapiens (Human)) | BDBM600744
(US11629156, Example 12)Show SMILES CC[C@H](N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1ncc2COC(=O)N(CC)c2n1 |r| | PDB
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| PC cid
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| | n/a | n/a | 134 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q]
(Homo sapiens (Human)) | BDBM603024
(1-Ethyl-7-[[(1S)-1-[4- [(1R/S)-1-(4-prop-2- enoylp...)Show SMILES CCC(N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1ncc2COC(=O)N(CC)c2n1 |r| | PDB
UniProtKB/SwissProt
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| PC cid
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| | n/a | n/a | 134 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2M90DKW |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q]
(Homo sapiens (Human)) | BDBM497355
(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CCOC)N3CCN(CC3)C(=O)C=C)nc12 |r| Show InChI InChI=1S/C27H36N6O4/c1-5-24(34)32-14-12-31(13-15-32)23(11-16-36-4)21-9-7-20(8-10-21)19(3)29-26-28-17-22-18-37-27(35)33(6-2)25(22)30-26/h5,7-10,17,19,23H,1,6,11-16,18H2,2-4H3,(H,28,29,30)/t19-,23?/m0/s1 | PDB
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| | n/a | n/a | 239 | n/a | n/a | n/a | n/a | n/a | n/a |
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Citation and Details
BindingDB Entry DOI: 10.7270/Q2M90DKW |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q]
(Homo sapiens (Human)) | BDBM600752
(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@H](CCOC)N3CCN(CC3)C(=O)C=C)nc12 |r| | PDB
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| PC cid
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| | n/a | n/a | 239 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q]
(Homo sapiens (Human)) | BDBM497355
(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CCOC)N3CCN(CC3)C(=O)C=C)nc12 |r| Show InChI InChI=1S/C27H36N6O4/c1-5-24(34)32-14-12-31(13-15-32)23(11-16-36-4)21-9-7-20(8-10-21)19(3)29-26-28-17-22-18-37-27(35)33(6-2)25(22)30-26/h5,7-10,17,19,23H,1,6,11-16,18H2,2-4H3,(H,28,29,30)/t19-,23?/m0/s1 | PDB
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Citation and Details
BindingDB Entry DOI: 10.7270/Q2M90DKW |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q]
(Homo sapiens (Human)) | BDBM600753
(1-Ethyl-7-[[(1S)-1-[4-[3- methoxy-1-(4-prop-2- eno...)Show SMILES CCN1C(=O)OCc2cnc(N[C@H](C)c3ccc(cc3)C(CCOC)N3CCN(CC3)C(=O)C=C)nc12 |r| | PDB
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Citation and Details
BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q]
(Homo sapiens (Human)) | BDBM195601
(GSK321 | US11311527, Cpd ID GSK321 | US11376246, C...)Show SMILES C[C@H](O)c1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3[C@H](C)CN(Cc23)C(=O)c2ccc[nH]2)c1 |r| | PDB
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| Article
PubMed
| n/a | n/a | 1.36E+3 | n/a | n/a | n/a | n/a | n/a | 25 |
Albert Einstein College of Medicine
| Assay Description
RapidFire-MS/MS measurements of mutant IDH1 and IDH2 reactions were conducted at room temperature in 384-well Greiner polypropylene microtiter plates... |
Nat Chem Biol 11: 878-86 (2015)
Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2RR1X2G |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q]
(Homo sapiens (Human)) | BDBM50506474
(Ft-2102 | Olutasidenib | US11311527, Cpd ID 1 | US...)Show SMILES C[C@H](Nc1ccc(C#N)n(C)c1=O)c1cc2cc(Cl)ccc2[nH]c1=O |r| Show InChI InChI=1S/C18H15ClN4O2/c1-10(21-16-6-4-13(9-20)23(2)18(16)25)14-8-11-7-12(19)3-5-15(11)22-17(14)24/h3-8,10,21H,1-2H3,(H,22,24)/t10-/m0/s1 | PDB
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| US Patent
| n/a | n/a | >4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound 1 was not initially reported as having the greatest biochemical potency compared to reports for certain other small molecule inhibitors of m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DF6W4N |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q]
(Homo sapiens (Human)) | BDBM195602
(GSK990)Show SMILES Cc1cccc(NC(=O)c2nn(Cc3c[nH]cn3)c3CCN(Cc23)C(=O)c2ccc[nH]2)c1 Show InChI InChI=1S/C23H23N7O2/c1-15-4-2-5-16(10-15)27-22(31)21-18-13-29(23(32)19-6-3-8-25-19)9-7-20(18)30(28-21)12-17-11-24-14-26-17/h2-6,8,10-11,14,25H,7,9,12-13H2,1H3,(H,24,26)(H,27,31) | PDB
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| PC cid
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| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | 25 |
Albert Einstein College of Medicine
| Assay Description
RapidFire-MS/MS measurements of mutant IDH1 and IDH2 reactions were conducted at room temperature in 384-well Greiner polypropylene microtiter plates... |
Nat Chem Biol 11: 878-86 (2015)
Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2RR1X2G |
More data for this
Ligand-Target Pair | |
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