Found 33 hits of Enzyme Inhibition Constant Data 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 |
|---|
Angiotensin-converting enzyme 2
(BOVINE) | BDBM85558
(Ang IV Nor1)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C39H52N8O8/c1-3-24(2)34(46-35(50)29(43-33(49)12-7-17-40)19-26-13-15-28(48)16-14-26)37(52)44-30(21-27-22-41-23-42-27)38(53)47-18-8-11-32(47)36(51)45-31(39(54)55)20-25-9-5-4-6-10-25/h4-6,9-10,13-16,22-24,29-32,34,48H,3,7-8,11-12,17-21,40H2,1-2H3,(H,41,42)(H,43,49)(H,44,52)(H,45,51)(H,46,50)(H,54,55)/t24-,29-,30-,31-,32-,34-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| PubMed
| 3.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 291: 1242-9 (1999)
BindingDB Entry DOI: 10.7270/Q2377783 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(BOVINE) | BDBM85550
(Ang IV | CAS_12676-15-2 | CHEMBL261120 | cid_12381...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1 | PDB
UniProtKB/SwissProt
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| 3.58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 291: 1242-9 (1999)
BindingDB Entry DOI: 10.7270/Q2377783 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(BOVINE) | BDBM85550
(Ang IV | CAS_12676-15-2 | CHEMBL261120 | cid_12381...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1 | PDB
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| 3.58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 291: 1242-9 (1999)
BindingDB Entry DOI: 10.7270/Q2377783 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(BOVINE) | BDBM85542
(Divalinal Ang IV)Show SMILES CC(C)[C@H](N)CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CN[C@@H](Cc1cnc[nH]1)C(=O)CN1CCCC1C(=O)NC(C(O)=O)c1ccccc1)C(C)C |r| Show InChI InChI=1S/C39H56N8O6/c1-24(2)30(40)20-42-32(17-26-12-14-29(48)15-13-26)37(50)45-33(25(3)4)21-43-31(18-28-19-41-23-44-28)35(49)22-47-16-8-11-34(47)38(51)46-36(39(52)53)27-9-6-5-7-10-27/h5-7,9-10,12-15,19,23-25,30-34,36,42-43,48H,8,11,16-18,20-22,40H2,1-4H3,(H,41,44)(H,45,50)(H,46,51)(H,52,53)/t30-,31+,32+,33-,34?,36?/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| PubMed
| 4.07 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 291: 1242-9 (1999)
BindingDB Entry DOI: 10.7270/Q2377783 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(BOVINE) | BDBM85550
(Ang IV | CAS_12676-15-2 | CHEMBL261120 | cid_12381...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1 | PDB
UniProtKB/SwissProt
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PC cid
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| 5.54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 291: 1242-9 (1999)
BindingDB Entry DOI: 10.7270/Q2377783 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(BOVINE) | BDBM85550
(Ang IV | CAS_12676-15-2 | CHEMBL261120 | cid_12381...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1 | PDB
UniProtKB/SwissProt
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| 5.54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 291: 1242-9 (1999)
BindingDB Entry DOI: 10.7270/Q2377783 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(BOVINE) | BDBM85542
(Divalinal Ang IV)Show SMILES CC(C)[C@H](N)CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CN[C@@H](Cc1cnc[nH]1)C(=O)CN1CCCC1C(=O)NC(C(O)=O)c1ccccc1)C(C)C |r| Show InChI InChI=1S/C39H56N8O6/c1-24(2)30(40)20-42-32(17-26-12-14-29(48)15-13-26)37(50)45-33(25(3)4)21-43-31(18-28-19-41-23-44-28)35(49)22-47-16-8-11-34(47)38(51)46-36(39(52)53)27-9-6-5-7-10-27/h5-7,9-10,12-15,19,23-25,30-34,36,42-43,48H,8,11,16-18,20-22,40H2,1-4H3,(H,41,44)(H,45,50)(H,46,51)(H,52,53)/t30-,31+,32+,33-,34?,36?/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| PubMed
| 6.39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 291: 1242-9 (1999)
BindingDB Entry DOI: 10.7270/Q2377783 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(BOVINE) | BDBM85546
(Ang(3-9))Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(O)=O)c1cnc[nH]1 |r| Show InChI InChI=1S/C45H59N11O9/c1-5-26(4)37(54-39(58)32(52-42(61)36(46)25(2)3)19-28-13-15-30(57)16-14-28)43(62)53-33(20-29-21-47-23-49-29)44(63)56-17-9-12-35(56)41(60)51-31(18-27-10-7-6-8-11-27)40(59)55-38(45(64)65)34-22-48-24-50-34/h6-8,10-11,13-16,21-26,31-33,35-38,57H,5,9,12,17-20,46H2,1-4H3,(H,47,49)(H,48,50)(H,51,60)(H,52,61)(H,53,62)(H,54,58)(H,55,59)(H,64,65)/t26-,31-,32-,33-,35-,36-,37-,38+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| PubMed
| 7.17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 291: 1242-9 (1999)
BindingDB Entry DOI: 10.7270/Q2377783 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(BOVINE) | BDBM85558
(Ang IV Nor1)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C39H52N8O8/c1-3-24(2)34(46-35(50)29(43-33(49)12-7-17-40)19-26-13-15-28(48)16-14-26)37(52)44-30(21-27-22-41-23-42-27)38(53)47-18-8-11-32(47)36(51)45-31(39(54)55)20-25-9-5-4-6-10-25/h4-6,9-10,13-16,22-24,29-32,34,48H,3,7-8,11-12,17-21,40H2,1-2H3,(H,41,42)(H,43,49)(H,44,52)(H,45,51)(H,46,50)(H,54,55)/t24-,29-,30-,31-,32-,34-/m0/s1 | PDB
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 8.49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 291: 1242-9 (1999)
BindingDB Entry DOI: 10.7270/Q2377783 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(BOVINE) | BDBM85545
(Ang(3-5))Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(O)=O Show InChI InChI=1S/C20H31N3O5/c1-5-12(4)17(20(27)28)23-18(25)15(22-19(26)16(21)11(2)3)10-13-6-8-14(24)9-7-13/h6-9,11-12,15-17,24H,5,10,21H2,1-4H3,(H,22,26)(H,23,25)(H,27,28)/t12-,15-,16-,17-/m0/s1 | PDB
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| KEGG
PC cid
PC sid
UniChem
Similars
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| 9.91 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 291: 1242-9 (1999)
BindingDB Entry DOI: 10.7270/Q2377783 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(BOVINE) | BDBM85553
(Ang(3-7))Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C31H45N7O7/c1-5-18(4)26(37-27(40)22(35-28(41)25(32)17(2)3)13-19-8-10-21(39)11-9-19)29(42)36-23(14-20-15-33-16-34-20)30(43)38-12-6-7-24(38)31(44)45/h8-11,15-18,22-26,39H,5-7,12-14,32H2,1-4H3,(H,33,34)(H,35,41)(H,36,42)(H,37,40)(H,44,45)/t18-,22-,23-,24-,25-,26-/m0/s1 | PDB
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| 10.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 291: 1242-9 (1999)
BindingDB Entry DOI: 10.7270/Q2377783 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(BOVINE) | BDBM85549
(NleYI-6-hexamide)Show SMILES CCCC[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCCCC(N)=O |r| Show InChI InChI=1S/C21H34N4O3/c1-2-3-12-17(22)20(27)25-18(15-16-10-6-4-7-11-16)21(28)24-14-9-5-8-13-19(23)26/h4,6-7,10-11,17-18H,2-3,5,8-9,12-15,22H2,1H3,(H2,23,26)(H,24,28)(H,25,27)/t17-,18+/m0/s1 | PDB
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 13.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 291: 1242-9 (1999)
BindingDB Entry DOI: 10.7270/Q2377783 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(BOVINE) | BDBM85547
(Ang(3-6))Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O Show InChI InChI=1S/C26H38N6O6/c1-5-15(4)22(25(36)31-20(26(37)38)11-17-12-28-13-29-17)32-23(34)19(30-24(35)21(27)14(2)3)10-16-6-8-18(33)9-7-16/h6-9,12-15,19-22,33H,5,10-11,27H2,1-4H3,(H,28,29)(H,30,35)(H,31,36)(H,32,34)(H,37,38)/t15-,19-,20-,21-,22-/m0/s1 | PDB
UniProtKB/SwissProt
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| KEGG
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PC sid
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| 14.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 291: 1242-9 (1999)
BindingDB Entry DOI: 10.7270/Q2377783 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(BOVINE) | BDBM85548
(Ang(3-10))Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)O[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(=O)N[C@@H](CC(C)C)C(O)=O)c1cnc[nH]1 |r| Show InChI InChI=1S/C51H69N11O11/c1-7-30(6)42(60-44(64)36(58-47(67)41(52)29(4)5)22-32-15-17-34(63)18-16-32)51(72)73-40(23-33-24-53-26-55-33)49(69)62-19-11-14-39(62)46(66)57-35(21-31-12-9-8-10-13-31)45(65)61-43(38-25-54-27-56-38)48(68)59-37(50(70)71)20-28(2)3/h8-10,12-13,15-18,24-30,35-37,39-43,63H,7,11,14,19-23,52H2,1-6H3,(H,53,55)(H,54,56)(H,57,66)(H,58,67)(H,59,68)(H,60,64)(H,61,65)(H,70,71)/t30-,35-,36-,37-,39-,40-,41-,42-,43+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 18.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 291: 1242-9 (1999)
BindingDB Entry DOI: 10.7270/Q2377783 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(BOVINE) | BDBM85543
(Ang(2-7))Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=O |wU:39.39,8.17,20.21,wD:4.4,24.25,52.55,2.2,(13.52,3.66,;12.19,2.89,;12.19,1.35,;13.52,.58,;10.85,.58,;10.85,-.96,;12.19,-1.73,;13.52,-.96,;12.19,-3.27,;10.85,-4.04,;10.85,-5.58,;9.52,-6.35,;9.52,-7.89,;10.85,-8.66,;10.85,-10.2,;12.19,-7.89,;12.19,-6.35,;13.52,-4.04,;14.85,-3.27,;14.85,-1.73,;16.19,-4.04,;17.52,-3.27,;18.85,-4.04,;18.85,-5.58,;20.19,-3.27,;21.52,-4.04,;20.19,-1.73,;21.52,-.96,;21.52,.58,;22.86,1.35,;22.86,2.89,;24.19,3.66,;21.52,3.66,;16.19,-5.58,;17.52,-6.35,;14.85,-6.35,;9.52,1.35,;8.18,.58,;9.52,2.89,;8.18,3.66,;6.85,2.89,;5.52,3.66,;5.36,5.19,;3.85,5.51,;3.08,4.18,;4.11,3.03,;8.18,5.2,;6.85,5.97,;9.52,5.97,;10.93,5.34,;11.96,6.49,;11.19,7.82,;9.68,7.5,;8.53,8.53,;8.86,10.04,;7.07,8.06,)| Show InChI InChI=1S/C37H57N11O8/c1-5-21(4)30(34(53)45-27(17-23-18-41-19-43-23)35(54)48-15-7-9-28(48)36(55)56)47-32(51)26(16-22-10-12-24(49)13-11-22)44-33(52)29(20(2)3)46-31(50)25(38)8-6-14-42-37(39)40/h10-13,18-21,25-30,49H,5-9,14-17,38H2,1-4H3,(H,41,43)(H,44,52)(H,45,53)(H,46,50)(H,47,51)(H,55,56)(H4,39,40,42)/t21-,25-,26-,27-,28-,29-,30-/m0/s1 | PDB
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| 33.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 291: 1242-9 (1999)
BindingDB Entry DOI: 10.7270/Q2377783 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(BOVINE) | BDBM85557
(Ang III | CAS_12687-51-3)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,wU:39.39,8.17,24.25,52.55,56.58,wD:4.4,2.2,20.21,(2.14,-3.15,;1.3,-1.86,;-.2,-1.94,;-.91,-3.35,;-1.04,-.64,;-2.62,-.74,;-3.32,-2.12,;-2.48,-3.41,;-4.85,-2.21,;-5.68,-.94,;-5,.45,;-5.83,1.73,;-5.14,3.11,;-3.59,3.19,;-2.92,4.55,;-2.77,1.91,;-3.44,.52,;-5.56,-3.58,;-7.1,-3.68,;-7.93,-2.4,;-7.79,-5.05,;-9.33,-5.14,;-10.03,-6.51,;-9.18,-7.82,;-11.56,-6.61,;-12.26,-7.97,;-12.41,-5.33,;-11.71,-3.93,;-12.55,-2.66,;-11.85,-1.26,;-12.71,.05,;-14.25,-.05,;-11.99,1.42,;-6.94,-6.35,;-5.41,-6.27,;-7.65,-7.73,;-.37,.69,;-1.2,1.95,;1.17,.78,;1.9,2.15,;1.06,3.43,;1.27,4.98,;2.66,5.69,;2.37,7.22,;.85,7.44,;.16,6.04,;3.43,2.23,;4.29,.93,;4.14,3.61,;3.31,4.85,;4.43,5.96,;5.8,5.15,;5.62,3.69,;6.71,2.6,;8.11,3.15,;6.47,1.08,;7.67,.11,;9.08,.65,;10.29,-.31,;11.74,.25,;12.94,-.72,;12.71,-2.26,;11.27,-2.8,;10.06,-1.84,;7.44,-1.42,;8.64,-2.4,;6.01,-1.98,)| Show InChI InChI=1S/C46H66N12O9/c1-5-27(4)38(57-40(61)33(21-29-15-17-31(59)18-16-29)53-42(63)37(26(2)3)56-39(60)32(47)13-9-19-51-46(48)49)43(64)54-34(23-30-24-50-25-52-30)44(65)58-20-10-14-36(58)41(62)55-35(45(66)67)22-28-11-7-6-8-12-28/h6-8,11-12,15-18,24-27,32-38,59H,5,9-10,13-14,19-23,47H2,1-4H3,(H,50,52)(H,53,63)(H,54,64)(H,55,62)(H,56,60)(H,57,61)(H,66,67)(H4,48,49,51)/t27-,32-,33-,34-,35-,36-,37-,38-/m0/s1 | PDB
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| 36.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 291: 1242-9 (1999)
BindingDB Entry DOI: 10.7270/Q2377783 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(BOVINE) | BDBM85557
(Ang III | CAS_12687-51-3)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,wU:39.39,8.17,24.25,52.55,56.58,wD:4.4,2.2,20.21,(2.14,-3.15,;1.3,-1.86,;-.2,-1.94,;-.91,-3.35,;-1.04,-.64,;-2.62,-.74,;-3.32,-2.12,;-2.48,-3.41,;-4.85,-2.21,;-5.68,-.94,;-5,.45,;-5.83,1.73,;-5.14,3.11,;-3.59,3.19,;-2.92,4.55,;-2.77,1.91,;-3.44,.52,;-5.56,-3.58,;-7.1,-3.68,;-7.93,-2.4,;-7.79,-5.05,;-9.33,-5.14,;-10.03,-6.51,;-9.18,-7.82,;-11.56,-6.61,;-12.26,-7.97,;-12.41,-5.33,;-11.71,-3.93,;-12.55,-2.66,;-11.85,-1.26,;-12.71,.05,;-14.25,-.05,;-11.99,1.42,;-6.94,-6.35,;-5.41,-6.27,;-7.65,-7.73,;-.37,.69,;-1.2,1.95,;1.17,.78,;1.9,2.15,;1.06,3.43,;1.27,4.98,;2.66,5.69,;2.37,7.22,;.85,7.44,;.16,6.04,;3.43,2.23,;4.29,.93,;4.14,3.61,;3.31,4.85,;4.43,5.96,;5.8,5.15,;5.62,3.69,;6.71,2.6,;8.11,3.15,;6.47,1.08,;7.67,.11,;9.08,.65,;10.29,-.31,;11.74,.25,;12.94,-.72,;12.71,-2.26,;11.27,-2.8,;10.06,-1.84,;7.44,-1.42,;8.64,-2.4,;6.01,-1.98,)| Show InChI InChI=1S/C46H66N12O9/c1-5-27(4)38(57-40(61)33(21-29-15-17-31(59)18-16-29)53-42(63)37(26(2)3)56-39(60)32(47)13-9-19-51-46(48)49)43(64)54-34(23-30-24-50-25-52-30)44(65)58-20-10-14-36(58)41(62)55-35(45(66)67)22-28-11-7-6-8-12-28/h6-8,11-12,15-18,24-27,32-38,59H,5,9-10,13-14,19-23,47H2,1-4H3,(H,50,52)(H,53,63)(H,54,64)(H,55,62)(H,56,60)(H,57,61)(H,66,67)(H4,48,49,51)/t27-,32-,33-,34-,35-,36-,37-,38-/m0/s1 | PDB
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| 63.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 291: 1242-9 (1999)
BindingDB Entry DOI: 10.7270/Q2377783 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(BOVINE) | BDBM85544
(Ang(3-11))Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)O[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(C)C)C(O)=O)c1cnc[nH]1 |r| Show InChI InChI=1S/C56H78N12O12/c1-9-33(8)46(66-49(71)40(63-52(74)44(57)31(4)5)24-35-17-19-37(69)20-18-35)56(79)80-43(25-36-26-58-28-60-36)54(76)68-21-13-16-42(68)51(73)62-39(23-34-14-11-10-12-15-34)50(72)67-47(41-27-59-29-61-41)53(75)64-38(22-30(2)3)48(70)65-45(32(6)7)55(77)78/h10-12,14-15,17-20,26-33,38-40,42-47,69H,9,13,16,21-25,57H2,1-8H3,(H,58,60)(H,59,61)(H,62,73)(H,63,74)(H,64,75)(H,65,70)(H,66,71)(H,67,72)(H,77,78)/t33-,38-,39-,40-,42-,43-,44-,45+,46-,47+/m0/s1 | PDB
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| 117 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 291: 1242-9 (1999)
BindingDB Entry DOI: 10.7270/Q2377783 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(BOVINE) | BDBM82077
(Angiotensin II | CAS_11128-99-7 | NSC_439662)Show SMILES CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)C(N)CC(O)=O)C(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(C)=O |(1.13,.52,;1.58,1.99,;.53,3.12,;-.97,2.77,;.98,4.59,;2.48,4.94,;3.54,3.81,;3.08,2.34,;5.04,4.16,;5.49,5.63,;4.44,6.76,;2.93,6.41,;1.88,7.54,;2.33,9.01,;1.28,10.14,;3.84,9.36,;4.89,8.23,;6.09,3.03,;7.59,3.38,;8.04,4.85,;8.64,2.25,;10.14,2.6,;11.19,1.47,;10.74,-0,;12.69,1.82,;13.74,.69,;13.29,-.78,;14.34,-1.91,;13.89,-3.38,;12.39,-3.73,;11.94,-5.2,;11.34,-2.6,;13.14,3.29,;14.64,3.64,;15.69,2.51,;15.09,5.11,;14.04,6.24,;16.59,5.46,;17.04,6.93,;15.99,8.06,;18.54,7.28,;8.19,.78,;9.24,-.35,;6.69,.43,;-.07,5.72,;.38,7.19,;-1.57,5.37,;-2.62,6.5,;-2.17,7.97,;-3.22,9.1,;-2.92,10.61,;-4.27,11.35,;-5.4,10.3,;-4.75,8.91,;-4.12,6.15,;-4.57,4.68,;-5.17,7.28,;-6.67,6.93,;-6.64,5.39,;-7.96,4.6,;-9.38,5.2,;-10.39,4.04,;-9.6,2.72,;-8.1,3.06,;-7.72,8.06,;-7.27,9.53,;-9.22,7.71,;-10.38,8.72,;-11.7,7.93,;-11.36,6.43,;-9.82,6.29,;-10.42,4.87,;-10.87,3.4,;-11.95,4.69,;-12.55,3.27,;-14.08,3.08,;-14.68,1.66,;-13.76,.43,;-14.36,-.98,;-15.89,-1.17,;-16.81,.06,;-16.21,1.48,;-11.63,2.04,;-10.1,2.23,;-12.23,.62,)| Show InChI InChI=1S/C57H80N16O12/c1-6-32(4)48(72-52(81)42(23-35-16-18-38(75)19-17-35)68-54(83)47(31(2)3)71-50(79)40(14-10-20-63-57(59)60)66-49(78)39(58)26-46(76)77)55(84)69-43(24-36-27-61-29-64-36)51(80)70-44(25-37-28-62-30-65-37)56(85)73-21-11-15-45(73)53(82)67-41(33(5)74)22-34-12-8-7-9-13-34/h7-9,12-13,16-19,27-32,39-45,47-48,75H,6,10-11,14-15,20-26,58H2,1-5H3,(H,61,64)(H,62,65)(H,66,78)(H,67,82)(H,68,83)(H,69,84)(H,70,80)(H,71,79)(H,72,81)(H,76,77)(H4,59,60,63) | PDB
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| 411 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 291: 1242-9 (1999)
BindingDB Entry DOI: 10.7270/Q2377783 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(BOVINE) | BDBM82077
(Angiotensin II | CAS_11128-99-7 | NSC_439662)Show SMILES CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)C(N)CC(O)=O)C(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(C)=O |(1.13,.52,;1.58,1.99,;.53,3.12,;-.97,2.77,;.98,4.59,;2.48,4.94,;3.54,3.81,;3.08,2.34,;5.04,4.16,;5.49,5.63,;4.44,6.76,;2.93,6.41,;1.88,7.54,;2.33,9.01,;1.28,10.14,;3.84,9.36,;4.89,8.23,;6.09,3.03,;7.59,3.38,;8.04,4.85,;8.64,2.25,;10.14,2.6,;11.19,1.47,;10.74,-0,;12.69,1.82,;13.74,.69,;13.29,-.78,;14.34,-1.91,;13.89,-3.38,;12.39,-3.73,;11.94,-5.2,;11.34,-2.6,;13.14,3.29,;14.64,3.64,;15.69,2.51,;15.09,5.11,;14.04,6.24,;16.59,5.46,;17.04,6.93,;15.99,8.06,;18.54,7.28,;8.19,.78,;9.24,-.35,;6.69,.43,;-.07,5.72,;.38,7.19,;-1.57,5.37,;-2.62,6.5,;-2.17,7.97,;-3.22,9.1,;-2.92,10.61,;-4.27,11.35,;-5.4,10.3,;-4.75,8.91,;-4.12,6.15,;-4.57,4.68,;-5.17,7.28,;-6.67,6.93,;-6.64,5.39,;-7.96,4.6,;-9.38,5.2,;-10.39,4.04,;-9.6,2.72,;-8.1,3.06,;-7.72,8.06,;-7.27,9.53,;-9.22,7.71,;-10.38,8.72,;-11.7,7.93,;-11.36,6.43,;-9.82,6.29,;-10.42,4.87,;-10.87,3.4,;-11.95,4.69,;-12.55,3.27,;-14.08,3.08,;-14.68,1.66,;-13.76,.43,;-14.36,-.98,;-15.89,-1.17,;-16.81,.06,;-16.21,1.48,;-11.63,2.04,;-10.1,2.23,;-12.23,.62,)| Show InChI InChI=1S/C57H80N16O12/c1-6-32(4)48(72-52(81)42(23-35-16-18-38(75)19-17-35)68-54(83)47(31(2)3)71-50(79)40(14-10-20-63-57(59)60)66-49(78)39(58)26-46(76)77)55(84)69-43(24-36-27-61-29-64-36)51(80)70-44(25-37-28-62-30-65-37)56(85)73-21-11-15-45(73)53(82)67-41(33(5)74)22-34-12-8-7-9-13-34/h7-9,12-13,16-19,27-32,39-45,47-48,75H,6,10-11,14-15,20-26,58H2,1-5H3,(H,61,64)(H,62,65)(H,66,78)(H,67,82)(H,68,83)(H,69,84)(H,70,80)(H,71,79)(H,72,81)(H,76,77)(H4,59,60,63) | PDB
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| 581 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 291: 1242-9 (1999)
BindingDB Entry DOI: 10.7270/Q2377783 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(BOVINE) | BDBM85554
(Ang(1-7) D-Ala7)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C)C(O)=O |wU:47.47,8.17,20.21,57.59,wD:4.4,24.32,35.36,2.2,(13.52,3.66,;12.19,2.89,;12.19,1.35,;13.52,.58,;10.85,.58,;10.85,-.96,;12.19,-1.73,;13.52,-.96,;12.19,-3.27,;10.85,-4.04,;10.85,-5.58,;9.52,-6.35,;9.52,-7.89,;10.85,-8.66,;10.85,-10.2,;12.19,-7.89,;12.19,-6.35,;13.52,-4.04,;14.85,-3.27,;14.85,-1.73,;16.19,-4.04,;17.52,-3.27,;18.85,-4.04,;18.85,-5.58,;20.19,-3.27,;20.19,-1.73,;21.52,-.96,;21.52,.58,;22.86,1.35,;22.86,2.89,;24.19,3.66,;21.52,3.66,;21.52,-4.04,;22.86,-3.27,;22.86,-1.73,;24.19,-4.04,;24.19,-5.58,;25.52,-3.27,;26.86,-4.04,;28.19,-3.27,;26.86,-5.58,;16.19,-5.58,;17.52,-6.35,;14.85,-6.35,;9.52,1.35,;8.18,.58,;9.52,2.89,;8.18,3.66,;6.85,2.89,;5.52,3.66,;5.36,5.19,;3.85,5.51,;3.08,4.18,;4.11,3.03,;8.18,5.2,;6.85,5.97,;9.52,5.97,;9.68,7.5,;11.17,7.9,;8.53,8.53,;8.86,10.04,;7.07,8.06,)| Show InChI InChI=1S/C39H60N12O11/c1-6-20(4)31(37(60)49-28(15-23-17-43-18-45-23)34(57)46-21(5)38(61)62)51-35(58)27(14-22-9-11-24(52)12-10-22)48-36(59)30(19(2)3)50-33(56)26(8-7-13-44-39(41)42)47-32(55)25(40)16-29(53)54/h9-12,17-21,25-28,30-31,52H,6-8,13-16,40H2,1-5H3,(H,43,45)(H,46,57)(H,47,55)(H,48,59)(H,49,60)(H,50,56)(H,51,58)(H,53,54)(H,61,62)(H4,41,42,44)/t20-,21+,25-,26-,27-,28-,30-,31-/m0/s1 | PDB
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| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 291: 1242-9 (1999)
BindingDB Entry DOI: 10.7270/Q2377783 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(BOVINE) | BDBM85551
(Ang(4-8))Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C35H45N7O7/c1-3-21(2)30(41-31(44)26(36)16-23-11-13-25(43)14-12-23)33(46)39-27(18-24-19-37-20-38-24)34(47)42-15-7-10-29(42)32(45)40-28(35(48)49)17-22-8-5-4-6-9-22/h4-6,8-9,11-14,19-21,26-30,43H,3,7,10,15-18,36H2,1-2H3,(H,37,38)(H,39,46)(H,40,45)(H,41,44)(H,48,49)/t21-,26-,27-,28-,29-,30-/m0/s1 | PDB
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PC cid
PC sid
UniChem
Similars
| PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 291: 1242-9 (1999)
BindingDB Entry DOI: 10.7270/Q2377783 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(BOVINE) | BDBM85555
(Ang II Ile8, Sar1)Show SMILES CCC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)[C@@H](C)CC)C(O)=O |r,wU:15.23,29.40,45.55,8.7,4.4,wD:25.27,62.65,41.44,(10.06,-1.84,;10.29,-.31,;9.08,.65,;9.48,2.14,;7.67,.11,;6.47,1.08,;6.71,2.6,;8.11,3.15,;5.62,3.69,;5.8,5.15,;4.43,5.96,;3.31,4.85,;4.14,3.61,;3.43,2.23,;4.29,.93,;1.9,2.15,;1.06,3.43,;1.27,4.98,;2.66,5.69,;2.37,7.22,;.85,7.44,;.16,6.04,;1.17,.78,;-.37,.69,;-1.2,1.95,;-1.04,-.64,;-2.62,-.74,;-3.32,-2.12,;-2.48,-3.41,;-4.85,-2.21,;-5.68,-.94,;-5,.45,;-5.83,1.73,;-5.14,3.11,;-3.59,3.19,;-2.92,4.55,;-2.77,1.91,;-3.44,.52,;-5.56,-3.58,;-7.1,-3.68,;-7.93,-2.4,;-7.79,-5.05,;-9.33,-5.14,;-10.03,-6.51,;-9.18,-7.82,;-11.56,-6.61,;-12.41,-5.33,;-11.71,-3.93,;-12.55,-2.66,;-11.85,-1.26,;-12.71,.05,;-14.25,-.05,;-11.99,1.42,;-12.26,-7.97,;-11.17,-9.06,;-9.68,-8.66,;-11.57,-10.54,;-10.48,-11.63,;-10.88,-13.12,;-6.94,-6.35,;-5.41,-6.27,;-7.65,-7.73,;-.2,-1.94,;-.91,-3.35,;1.3,-1.86,;2.14,-3.15,;7.44,-1.42,;8.64,-2.4,;6.01,-1.98,)| Show InChI InChI=1S/C46H73N13O10/c1-8-26(5)37(43(66)55-33(21-29-22-50-24-52-29)44(67)59-19-11-13-34(59)41(64)58-38(45(68)69)27(6)9-2)57-40(63)32(20-28-14-16-30(60)17-15-28)54-42(65)36(25(3)4)56-39(62)31(53-35(61)23-49-7)12-10-18-51-46(47)48/h14-17,22,24-27,31-34,36-38,49,60H,8-13,18-21,23H2,1-7H3,(H,50,52)(H,53,61)(H,54,65)(H,55,66)(H,56,62)(H,57,63)(H,58,64)(H,68,69)(H4,47,48,51)/t26-,27?,31-,32-,33-,34-,36-,37-,38-/m0/s1 | PDB
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UniChem
Similars
| PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 291: 1242-9 (1999)
BindingDB Entry DOI: 10.7270/Q2377783 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(BOVINE) | BDBM85556
(Ang(1-7))Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=O |wU:47.47,8.17,20.21,wD:4.4,24.32,35.36,60.63,2.2,(13.52,3.66,;12.19,2.89,;12.19,1.35,;13.52,.58,;10.85,.58,;10.85,-.96,;12.19,-1.73,;13.52,-.96,;12.19,-3.27,;10.85,-4.04,;10.85,-5.58,;9.52,-6.35,;9.52,-7.89,;10.85,-8.66,;10.85,-10.2,;12.19,-7.89,;12.19,-6.35,;13.52,-4.04,;14.85,-3.27,;14.85,-1.73,;16.19,-4.04,;17.52,-3.27,;18.85,-4.04,;18.85,-5.58,;20.19,-3.27,;20.19,-1.73,;21.52,-.96,;21.52,.58,;22.86,1.35,;22.86,2.89,;24.19,3.66,;21.52,3.66,;21.52,-4.04,;22.86,-3.27,;22.86,-1.73,;24.19,-4.04,;24.19,-5.58,;25.52,-3.27,;26.86,-4.04,;28.19,-3.27,;26.86,-5.58,;16.19,-5.58,;17.52,-6.35,;14.85,-6.35,;9.52,1.35,;8.18,.58,;9.52,2.89,;8.18,3.66,;6.85,2.89,;5.52,3.66,;5.36,5.19,;3.85,5.51,;3.08,4.18,;4.11,3.03,;8.18,5.2,;6.85,5.97,;9.52,5.97,;10.93,5.34,;11.96,6.49,;11.19,7.82,;9.68,7.5,;8.53,8.53,;8.86,10.04,;7.07,8.06,)| Show InChI InChI=1S/C41H62N12O11/c1-5-22(4)33(38(61)50-29(17-24-19-45-20-47-24)39(62)53-15-7-9-30(53)40(63)64)52-36(59)28(16-23-10-12-25(54)13-11-23)49-37(60)32(21(2)3)51-35(58)27(8-6-14-46-41(43)44)48-34(57)26(42)18-31(55)56/h10-13,19-22,26-30,32-33,54H,5-9,14-18,42H2,1-4H3,(H,45,47)(H,48,57)(H,49,60)(H,50,61)(H,51,58)(H,52,59)(H,55,56)(H,63,64)(H4,43,44,46)/t22-,26-,27-,28-,29-,30-,32-,33-/m0/s1 | PDB
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| PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 291: 1242-9 (1999)
BindingDB Entry DOI: 10.7270/Q2377783 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(BOVINE) | BDBM50169147
((S)-2-((S)-2-Amino-3-methyl-butyrylamino)-3-(4-hyd...)Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C14H20N2O4/c1-8(2)12(15)13(18)16-11(14(19)20)7-9-3-5-10(17)6-4-9/h3-6,8,11-12,17H,7,15H2,1-2H3,(H,16,18)(H,19,20)/t11-,12-/m0/s1 | PDB
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KEGG
PC cid
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UniChem
Patents
Similars
| PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 291: 1242-9 (1999)
BindingDB Entry DOI: 10.7270/Q2377783 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(BOVINE) | BDBM85554
(Ang(1-7) D-Ala7)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C)C(O)=O |wU:47.47,8.17,20.21,57.59,wD:4.4,24.32,35.36,2.2,(13.52,3.66,;12.19,2.89,;12.19,1.35,;13.52,.58,;10.85,.58,;10.85,-.96,;12.19,-1.73,;13.52,-.96,;12.19,-3.27,;10.85,-4.04,;10.85,-5.58,;9.52,-6.35,;9.52,-7.89,;10.85,-8.66,;10.85,-10.2,;12.19,-7.89,;12.19,-6.35,;13.52,-4.04,;14.85,-3.27,;14.85,-1.73,;16.19,-4.04,;17.52,-3.27,;18.85,-4.04,;18.85,-5.58,;20.19,-3.27,;20.19,-1.73,;21.52,-.96,;21.52,.58,;22.86,1.35,;22.86,2.89,;24.19,3.66,;21.52,3.66,;21.52,-4.04,;22.86,-3.27,;22.86,-1.73,;24.19,-4.04,;24.19,-5.58,;25.52,-3.27,;26.86,-4.04,;28.19,-3.27,;26.86,-5.58,;16.19,-5.58,;17.52,-6.35,;14.85,-6.35,;9.52,1.35,;8.18,.58,;9.52,2.89,;8.18,3.66,;6.85,2.89,;5.52,3.66,;5.36,5.19,;3.85,5.51,;3.08,4.18,;4.11,3.03,;8.18,5.2,;6.85,5.97,;9.52,5.97,;9.68,7.5,;11.17,7.9,;8.53,8.53,;8.86,10.04,;7.07,8.06,)| Show InChI InChI=1S/C39H60N12O11/c1-6-20(4)31(37(60)49-28(15-23-17-43-18-45-23)34(57)46-21(5)38(61)62)51-35(58)27(14-22-9-11-24(52)12-10-22)48-36(59)30(19(2)3)50-33(56)26(8-7-13-44-39(41)42)47-32(55)25(40)16-29(53)54/h9-12,17-21,25-28,30-31,52H,6-8,13-16,40H2,1-5H3,(H,43,45)(H,46,57)(H,47,55)(H,48,59)(H,49,60)(H,50,56)(H,51,58)(H,53,54)(H,61,62)(H4,41,42,44)/t20-,21+,25-,26-,27-,28-,30-,31-/m0/s1 | PDB
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UniChem
Similars
| PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 291: 1242-9 (1999)
BindingDB Entry DOI: 10.7270/Q2377783 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(BOVINE) | BDBM85559
(Ang II Thr8, Sar1)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)O)C(O)=O |r,wU:44.44,8.17,24.32,57.60,61.63,wD:4.4,2.2,20.21,(2.14,-3.15,;1.3,-1.86,;-.2,-1.94,;-.91,-3.35,;-1.04,-.64,;-2.62,-.74,;-3.32,-2.12,;-2.48,-3.41,;-4.85,-2.21,;-5.68,-.94,;-5,.45,;-5.83,1.73,;-5.14,3.11,;-3.59,3.19,;-2.92,4.55,;-2.77,1.91,;-3.44,.52,;-5.56,-3.58,;-7.1,-3.68,;-7.93,-2.4,;-7.79,-5.05,;-9.33,-5.14,;-10.03,-6.51,;-9.18,-7.82,;-11.56,-6.61,;-12.41,-5.33,;-11.71,-3.93,;-12.55,-2.66,;-11.85,-1.26,;-12.71,.05,;-14.25,-.05,;-11.99,1.42,;-12.26,-7.97,;-11.17,-9.06,;-9.68,-8.66,;-11.57,-10.55,;-10.48,-11.63,;-10.88,-13.12,;-6.94,-6.35,;-5.41,-6.27,;-7.65,-7.74,;-.37,.69,;-1.2,1.95,;1.18,.78,;1.9,2.15,;1.06,3.43,;1.27,4.98,;2.66,5.69,;2.37,7.22,;.85,7.45,;.16,6.04,;3.43,2.23,;4.29,.93,;4.14,3.61,;3.32,4.85,;4.43,5.96,;5.8,5.15,;5.62,3.69,;6.71,2.6,;8.11,3.15,;6.47,1.08,;7.68,.11,;9.08,.65,;9.48,2.14,;10.3,-.31,;7.44,-1.42,;8.64,-2.4,;6.01,-1.98,)| Show InChI InChI=1S/C44H69N13O11/c1-7-24(4)35(41(65)53-31(19-27-20-48-22-50-27)42(66)57-17-9-11-32(57)39(63)56-36(25(5)58)43(67)68)55-38(62)30(18-26-12-14-28(59)15-13-26)52-40(64)34(23(2)3)54-37(61)29(51-33(60)21-47-6)10-8-16-49-44(45)46/h12-15,20,22-25,29-32,34-36,47,58-59H,7-11,16-19,21H2,1-6H3,(H,48,50)(H,51,60)(H,52,64)(H,53,65)(H,54,61)(H,55,62)(H,56,63)(H,67,68)(H4,45,46,49)/t24-,25?,29-,30-,31-,32-,34-,35-,36-/m0/s1 | PDB
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AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 291: 1242-9 (1999)
BindingDB Entry DOI: 10.7270/Q2377783 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(BOVINE) | BDBM85552
(Ang IV D-Val1)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33+,34-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 291: 1242-9 (1999)
BindingDB Entry DOI: 10.7270/Q2377783 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(BOVINE) | BDBM85559
(Ang II Thr8, Sar1)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)O)C(O)=O |r,wU:44.44,8.17,24.32,57.60,61.63,wD:4.4,2.2,20.21,(2.14,-3.15,;1.3,-1.86,;-.2,-1.94,;-.91,-3.35,;-1.04,-.64,;-2.62,-.74,;-3.32,-2.12,;-2.48,-3.41,;-4.85,-2.21,;-5.68,-.94,;-5,.45,;-5.83,1.73,;-5.14,3.11,;-3.59,3.19,;-2.92,4.55,;-2.77,1.91,;-3.44,.52,;-5.56,-3.58,;-7.1,-3.68,;-7.93,-2.4,;-7.79,-5.05,;-9.33,-5.14,;-10.03,-6.51,;-9.18,-7.82,;-11.56,-6.61,;-12.41,-5.33,;-11.71,-3.93,;-12.55,-2.66,;-11.85,-1.26,;-12.71,.05,;-14.25,-.05,;-11.99,1.42,;-12.26,-7.97,;-11.17,-9.06,;-9.68,-8.66,;-11.57,-10.55,;-10.48,-11.63,;-10.88,-13.12,;-6.94,-6.35,;-5.41,-6.27,;-7.65,-7.74,;-.37,.69,;-1.2,1.95,;1.18,.78,;1.9,2.15,;1.06,3.43,;1.27,4.98,;2.66,5.69,;2.37,7.22,;.85,7.45,;.16,6.04,;3.43,2.23,;4.29,.93,;4.14,3.61,;3.32,4.85,;4.43,5.96,;5.8,5.15,;5.62,3.69,;6.71,2.6,;8.11,3.15,;6.47,1.08,;7.68,.11,;9.08,.65,;9.48,2.14,;10.3,-.31,;7.44,-1.42,;8.64,-2.4,;6.01,-1.98,)| Show InChI InChI=1S/C44H69N13O11/c1-7-24(4)35(41(65)53-31(19-27-20-48-22-50-27)42(66)57-17-9-11-32(57)39(63)56-36(25(5)58)43(67)68)55-38(62)30(18-26-12-14-28(59)15-13-26)52-40(64)34(23(2)3)54-37(61)29(51-33(60)21-47-6)10-8-16-49-44(45)46/h12-15,20,22-25,29-32,34-36,47,58-59H,7-11,16-19,21H2,1-6H3,(H,48,50)(H,51,60)(H,52,64)(H,53,65)(H,54,61)(H,55,62)(H,56,63)(H,67,68)(H4,45,46,49)/t24-,25?,29-,30-,31-,32-,34-,35-,36-/m0/s1 | PDB
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| PC cid
PC sid
UniChem
Similars
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| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 291: 1242-9 (1999)
BindingDB Entry DOI: 10.7270/Q2377783 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(BOVINE) | BDBM82258
(CAS_114798-26-4 | Losartan | NSC_3961)Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28) | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 291: 1242-9 (1999)
BindingDB Entry DOI: 10.7270/Q2377783 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(BOVINE) | BDBM50010361
((S)-1-(4-Amino-3-methyl-benzyl)-5-diphenylacetyl-4...)Show SMILES Cc1cc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)ccc1N Show InChI InChI=1S/C29H28N4O3/c1-19-14-20(12-13-23(19)30)16-32-18-31-24-17-33(26(29(35)36)15-25(24)32)28(34)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-14,18,26-27H,15-17,30H2,1H3,(H,35,36)/t26-/m0/s1 | PDB
UniProtKB/SwissProt
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CHEMBL
KEGG
PC cid
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UniChem
Patents
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| PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 291: 1242-9 (1999)
BindingDB Entry DOI: 10.7270/Q2377783 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(BOVINE) | BDBM50010361
((S)-1-(4-Amino-3-methyl-benzyl)-5-diphenylacetyl-4...)Show SMILES Cc1cc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)ccc1N Show InChI InChI=1S/C29H28N4O3/c1-19-14-20(12-13-23(19)30)16-32-18-31-24-17-33(26(29(35)36)15-25(24)32)28(34)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-14,18,26-27H,15-17,30H2,1H3,(H,35,36)/t26-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 291: 1242-9 (1999)
BindingDB Entry DOI: 10.7270/Q2377783 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme 2
(BOVINE) | BDBM82258
(CAS_114798-26-4 | Losartan | NSC_3961)Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 291: 1242-9 (1999)
BindingDB Entry DOI: 10.7270/Q2377783 |
More data for this
Ligand-Target Pair | |
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