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Compile Data Set for Download or QSAR

Found 26 hits with Last Name = 'pritchett' and Initial = 'db'   
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
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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0.480n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Science 245: 1389-92 (1989)


Article DOI: 10.1126/science.2551039
BindingDB Entry DOI: 10.7270/Q2C53JCF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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0.490n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Science 245: 1389-92 (1989)


Article DOI: 10.1126/science.2551039
BindingDB Entry DOI: 10.7270/Q2C53JCF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-3


(Homo sapiens (Human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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0.620n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Science 245: 1389-92 (1989)


Article DOI: 10.1126/science.2551039
BindingDB Entry DOI: 10.7270/Q2C53JCF
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3


(Homo sapiens (Human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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0.720n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Science 245: 1389-92 (1989)


Article DOI: 10.1126/science.2551039
BindingDB Entry DOI: 10.7270/Q2C53JCF
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50243981
PNG
(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)
Show SMILES COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3
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0.780n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Science 245: 1389-92 (1989)


Article DOI: 10.1126/science.2551039
BindingDB Entry DOI: 10.7270/Q2C53JCF
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2


(Homo sapiens (Human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Science 245: 1389-92 (1989)


Article DOI: 10.1126/science.2551039
BindingDB Entry DOI: 10.7270/Q2C53JCF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-2


(Homo sapiens (Human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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1.20n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Science 245: 1389-92 (1989)


Article DOI: 10.1126/science.2551039
BindingDB Entry DOI: 10.7270/Q2C53JCF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50019213
PNG
(1,3-dihydro-7-nitro-5-(2-chlorophenyl)-2H-1,4.benz...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1 |t:11|
Show InChI InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)
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1.27n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Science 245: 1389-92 (1989)


Article DOI: 10.1126/science.2551039
BindingDB Entry DOI: 10.7270/Q2C53JCF
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2


(Homo sapiens (Human))
BDBM50019213
PNG
(1,3-dihydro-7-nitro-5-(2-chlorophenyl)-2H-1,4.benz...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1 |t:11|
Show InChI InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)
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1.70n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Science 245: 1389-92 (1989)


Article DOI: 10.1126/science.2551039
BindingDB Entry DOI: 10.7270/Q2C53JCF
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3


(Homo sapiens (Human))
BDBM50019213
PNG
(1,3-dihydro-7-nitro-5-(2-chlorophenyl)-2H-1,4.benz...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1 |t:11|
Show InChI InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)
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2n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Science 245: 1389-92 (1989)


Article DOI: 10.1126/science.2551039
BindingDB Entry DOI: 10.7270/Q2C53JCF
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2


(Homo sapiens (Human))
BDBM50243981
PNG
(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)
Show SMILES COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3
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2.90n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Science 245: 1389-92 (1989)


Article DOI: 10.1126/science.2551039
BindingDB Entry DOI: 10.7270/Q2C53JCF
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3


(Homo sapiens (Human))
BDBM50243981
PNG
(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)
Show SMILES COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3
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4.10n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Science 245: 1389-92 (1989)


Article DOI: 10.1126/science.2551039
BindingDB Entry DOI: 10.7270/Q2C53JCF
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM81951
PNG
(CAS_104999 | DMCM | NSC_104999)
Show SMILES CCc1c(ncc2[nH]c3cc(OC)c(OC)cc3c12)C(=O)OC
Show InChI InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,19H,5H2,1-4H3
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5.30n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Science 245: 1389-92 (1989)


Article DOI: 10.1126/science.2551039
BindingDB Entry DOI: 10.7270/Q2C53JCF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-3


(Homo sapiens (Human))
BDBM81951
PNG
(CAS_104999 | DMCM | NSC_104999)
Show SMILES CCc1c(ncc2[nH]c3cc(OC)c(OC)cc3c12)C(=O)OC
Show InChI InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,19H,5H2,1-4H3
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10.6n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Science 245: 1389-92 (1989)


Article DOI: 10.1126/science.2551039
BindingDB Entry DOI: 10.7270/Q2C53JCF
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2


(Homo sapiens (Human))
BDBM81951
PNG
(CAS_104999 | DMCM | NSC_104999)
Show SMILES CCc1c(ncc2[nH]c3cc(OC)c(OC)cc3c12)C(=O)OC
Show InChI InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,19H,5H2,1-4H3
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14.4n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Science 245: 1389-92 (1989)


Article DOI: 10.1126/science.2551039
BindingDB Entry DOI: 10.7270/Q2C53JCF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
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16.3n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Science 245: 1389-92 (1989)


Article DOI: 10.1126/science.2551039
BindingDB Entry DOI: 10.7270/Q2C53JCF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-2


(Homo sapiens (Human))
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
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16.9n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Science 245: 1389-92 (1989)


Article DOI: 10.1126/science.2551039
BindingDB Entry DOI: 10.7270/Q2C53JCF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-3


(Homo sapiens (Human))
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
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17n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Science 245: 1389-92 (1989)


Article DOI: 10.1126/science.2551039
BindingDB Entry DOI: 10.7270/Q2C53JCF
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50026756
PNG
(3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triaz...)
Show SMILES Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3
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108n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Science 245: 1389-92 (1989)


Article DOI: 10.1126/science.2551039
BindingDB Entry DOI: 10.7270/Q2C53JCF
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3


(Homo sapiens (Human))
BDBM81952
PNG
(2-Oxoquazepam | CAS_93250 | NSC_93250)
Show SMILES Fc1ccccc1C1=NCC(=O)N(CC(F)(F)F)c2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C17H11ClF4N2O/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)23-8-15(25)24(14)9-17(20,21)22/h1-7H,8-9H2
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205n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Science 245: 1389-92 (1989)


Article DOI: 10.1126/science.2551039
BindingDB Entry DOI: 10.7270/Q2C53JCF
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2


(Homo sapiens (Human))
BDBM81952
PNG
(2-Oxoquazepam | CAS_93250 | NSC_93250)
Show SMILES Fc1ccccc1C1=NCC(=O)N(CC(F)(F)F)c2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C17H11ClF4N2O/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)23-8-15(25)24(14)9-17(20,21)22/h1-7H,8-9H2
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236n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Science 245: 1389-92 (1989)


Article DOI: 10.1126/science.2551039
BindingDB Entry DOI: 10.7270/Q2C53JCF
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50026756
PNG
(3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triaz...)
Show SMILES Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3
PDB

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Article
PubMed
405n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Science 245: 1389-92 (1989)


Article DOI: 10.1126/science.2551039
BindingDB Entry DOI: 10.7270/Q2C53JCF
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3


(Homo sapiens (Human))
BDBM50026756
PNG
(3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triaz...)
Show SMILES Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3
PDB

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Article
PubMed
1.62E+3n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Science 245: 1389-92 (1989)


Article DOI: 10.1126/science.2551039
BindingDB Entry DOI: 10.7270/Q2C53JCF
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2


(Homo sapiens (Human))
BDBM50026756
PNG
(3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triaz...)
Show SMILES Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3
PDB

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Article
PubMed
1.74E+3n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Science 245: 1389-92 (1989)


Article DOI: 10.1126/science.2551039
BindingDB Entry DOI: 10.7270/Q2C53JCF
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3


(Homo sapiens (Human))
BDBM50026756
PNG
(3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triaz...)
Show SMILES Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3
PDB

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Article
PubMed
1.79E+3n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Science 245: 1389-92 (1989)


Article DOI: 10.1126/science.2551039
BindingDB Entry DOI: 10.7270/Q2C53JCF
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2


(Homo sapiens (Human))
BDBM50026756
PNG
(3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triaz...)
Show SMILES Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3
PDB

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CHEMBL
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Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Science 245: 1389-92 (1989)


Article DOI: 10.1126/science.2551039
BindingDB Entry DOI: 10.7270/Q2C53JCF
More data for this
Ligand-Target Pair