Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50004447 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 |
|---|
1,3-beta-glucan synthase
(Candida tropicalis) | BDBM50478216
(CHEBI:600520 | Micafungin | Mycamine)Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@@]([H])(NC(=O)[C@H](C[C@@H](O)[C@@H](O)NC(=O)[C@]1([H])[C@@H](O)[C@@H](C)CN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@H](O)[C@@H](O)c1ccc(O)c(OS(O)(=O)=O)c1)[C@H](O)CC(N)=O)NC(=O)c1ccc(cc1)-c1cc(on1)-c1ccc(OCCCCC)cc1)[C@@H](C)O Show InChI InChI=1S/C56H71N9O23S/c1-4-5-6-17-86-32-14-11-28(12-15-32)39-21-33(63-87-39)27-7-9-29(10-8-27)49(75)58-34-20-38(70)52(78)62-54(80)45-46(72)25(2)23-65(45)56(82)43(37(69)22-41(57)71)60-53(79)44(48(74)47(73)30-13-16-36(68)40(18-30)88-89(83,84)85)61-51(77)35-19-31(67)24-64(35)55(81)42(26(3)66)59-50(34)76/h7-16,18,21,25-26,31,34-35,37-38,42-48,52,66-70,72-74,78H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)(H,83,84,85)/t25-,26+,31+,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,48-,52+/m0/s1 | UniProtKB/TrEMBL
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KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.117 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Medicine and Dentistry of New Jersey
Curated by ChEMBL
| Assay Description
Inhibition of Candida tropicalis T3 blood stream isolate glucan synthase subunit FKS1p with FLTLS/PLRDP mutant at monophasic kinetics |
Antimicrob Agents Chemother 52: 4181-3 (2008)
Article DOI: 10.1128/AAC.00802-08
BindingDB Entry DOI: 10.7270/Q20R9S78 |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida tropicalis) | BDBM50478216
(CHEBI:600520 | Micafungin | Mycamine)Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@@]([H])(NC(=O)[C@H](C[C@@H](O)[C@@H](O)NC(=O)[C@]1([H])[C@@H](O)[C@@H](C)CN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@H](O)[C@@H](O)c1ccc(O)c(OS(O)(=O)=O)c1)[C@H](O)CC(N)=O)NC(=O)c1ccc(cc1)-c1cc(on1)-c1ccc(OCCCCC)cc1)[C@@H](C)O Show InChI InChI=1S/C56H71N9O23S/c1-4-5-6-17-86-32-14-11-28(12-15-32)39-21-33(63-87-39)27-7-9-29(10-8-27)49(75)58-34-20-38(70)52(78)62-54(80)45-46(72)25(2)23-65(45)56(82)43(37(69)22-41(57)71)60-53(79)44(48(74)47(73)30-13-16-36(68)40(18-30)88-89(83,84)85)61-51(77)35-19-31(67)24-64(35)55(81)42(26(3)66)59-50(34)76/h7-16,18,21,25-26,31,34-35,37-38,42-48,52,66-70,72-74,78H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)(H,83,84,85)/t25-,26+,31+,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,48-,52+/m0/s1 | UniProtKB/TrEMBL
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UniChem
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PubMed
| n/a | n/a | 0.171 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Medicine and Dentistry of New Jersey
Curated by ChEMBL
| Assay Description
Inhibition of Candida tropicalis T19 blood stream isolate glucan synthase subunit FKS1p with FLTLS/PLRDP mutant at monophasic kinetics |
Antimicrob Agents Chemother 52: 4181-3 (2008)
Article DOI: 10.1128/AAC.00802-08
BindingDB Entry DOI: 10.7270/Q20R9S78 |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida tropicalis) | BDBM50417554
(ANIDULAFUNGIN)Show SMILES CCCCCOc1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@@H](C)O |r| Show InChI InChI=1S/C58H73N7O17/c1-5-6-7-24-82-40-22-18-35(19-23-40)33-10-8-32(9-11-33)34-12-14-37(15-13-34)51(74)59-41-26-43(70)54(77)63-56(79)47-48(71)29(2)27-65(47)58(81)45(31(4)67)61-55(78)46(50(73)49(72)36-16-20-38(68)21-17-36)62-53(76)42-25-39(69)28-64(42)57(80)44(30(3)66)60-52(41)75/h8-23,29-31,39,41-50,54,66-73,77H,5-7,24-28H2,1-4H3,(H,59,74)(H,60,75)(H,61,78)(H,62,76)(H,63,79)/t29-,30+,31+,39+,41-,42-,43+,44-,45-,46-,47-,48-,49-,50-,54+/m0/s1 | UniProtKB/TrEMBL
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PubMed
| n/a | n/a | 0.281 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Medicine and Dentistry of New Jersey
Curated by ChEMBL
| Assay Description
Inhibition of Candida tropicalis T3 blood stream isolate glucan synthase subunit FKS1p with FLTLS/PLRDP mutant at monophasic kinetics |
Antimicrob Agents Chemother 52: 4181-3 (2008)
Article DOI: 10.1128/AAC.00802-08
BindingDB Entry DOI: 10.7270/Q20R9S78 |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida tropicalis) | BDBM50478215
(CHEBI:474180 | Cancidas | Caspofungin | Caspofungi...)Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@@]([H])(NC(=O)[C@H](C[C@@H](O)[C@@H](NCCN)NC(=O)[C@]1([H])[C@@H](O)CCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCN)NC(=O)CCCCCCCCC(C)CC(C)CC)[C@@H](C)O |r| Show InChI InChI=1S/C52H88N10O15/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75)/t28?,29?,30-,33-,34+,35+,36-,37+,38-,40+,41+,42+,43+,44+,45+,46+/m1/s1 | UniProtKB/TrEMBL
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PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 0.296 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Medicine and Dentistry of New Jersey
Curated by ChEMBL
| Assay Description
Inhibition of Candida tropicalis T19 blood stream isolate glucan synthase subunit FKS1p with FLTLS/PLRDP mutant at monophasic kinetics |
Antimicrob Agents Chemother 52: 4181-3 (2008)
Article DOI: 10.1128/AAC.00802-08
BindingDB Entry DOI: 10.7270/Q20R9S78 |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida tropicalis) | BDBM50478215
(CHEBI:474180 | Cancidas | Caspofungin | Caspofungi...)Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@@]([H])(NC(=O)[C@H](C[C@@H](O)[C@@H](NCCN)NC(=O)[C@]1([H])[C@@H](O)CCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCN)NC(=O)CCCCCCCCC(C)CC(C)CC)[C@@H](C)O |r| Show InChI InChI=1S/C52H88N10O15/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75)/t28?,29?,30-,33-,34+,35+,36-,37+,38-,40+,41+,42+,43+,44+,45+,46+/m1/s1 | UniProtKB/TrEMBL
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PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 0.306 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Medicine and Dentistry of New Jersey
Curated by ChEMBL
| Assay Description
Inhibition of Candida tropicalis T3 blood stream isolate glucan synthase subunit FKS1p with FLTLS/PLRDP mutant at monophasic kinetics |
Antimicrob Agents Chemother 52: 4181-3 (2008)
Article DOI: 10.1128/AAC.00802-08
BindingDB Entry DOI: 10.7270/Q20R9S78 |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50478215
(CHEBI:474180 | Cancidas | Caspofungin | Caspofungi...)Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@@]([H])(NC(=O)[C@H](C[C@@H](O)[C@@H](NCCN)NC(=O)[C@]1([H])[C@@H](O)CCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCN)NC(=O)CCCCCCCCC(C)CC(C)CC)[C@@H](C)O |r| Show InChI InChI=1S/C52H88N10O15/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75)/t28?,29?,30-,33-,34+,35+,36-,37+,38-,40+,41+,42+,43+,44+,45+,46+/m1/s1 | UniProtKB/TrEMBL
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Medicine and Dentistry of New Jersey
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans ATCC 90028 glucan synthase at monophasic kinetics |
Antimicrob Agents Chemother 52: 4181-3 (2008)
Article DOI: 10.1128/AAC.00802-08
BindingDB Entry DOI: 10.7270/Q20R9S78 |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida tropicalis) | BDBM50417554
(ANIDULAFUNGIN)Show SMILES CCCCCOc1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@@H](C)O |r| Show InChI InChI=1S/C58H73N7O17/c1-5-6-7-24-82-40-22-18-35(19-23-40)33-10-8-32(9-11-33)34-12-14-37(15-13-34)51(74)59-41-26-43(70)54(77)63-56(79)47-48(71)29(2)27-65(47)58(81)45(31(4)67)61-55(78)46(50(73)49(72)36-16-20-38(68)21-17-36)62-53(76)42-25-39(69)28-64(42)57(80)44(30(3)66)60-52(41)75/h8-23,29-31,39,41-50,54,66-73,77H,5-7,24-28H2,1-4H3,(H,59,74)(H,60,75)(H,61,78)(H,62,76)(H,63,79)/t29-,30+,31+,39+,41-,42-,43+,44-,45-,46-,47-,48-,49-,50-,54+/m0/s1 | UniProtKB/TrEMBL
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.503 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Medicine and Dentistry of New Jersey
Curated by ChEMBL
| Assay Description
Inhibition of Candida tropicalis T19 blood stream isolate glucan synthase subunit FKS1p with FLTLS/PLRDP mutant at monophasic kinetics |
Antimicrob Agents Chemother 52: 4181-3 (2008)
Article DOI: 10.1128/AAC.00802-08
BindingDB Entry DOI: 10.7270/Q20R9S78 |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50417554
(ANIDULAFUNGIN)Show SMILES CCCCCOc1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@@H](C)O |r| Show InChI InChI=1S/C58H73N7O17/c1-5-6-7-24-82-40-22-18-35(19-23-40)33-10-8-32(9-11-33)34-12-14-37(15-13-34)51(74)59-41-26-43(70)54(77)63-56(79)47-48(71)29(2)27-65(47)58(81)45(31(4)67)61-55(78)46(50(73)49(72)36-16-20-38(68)21-17-36)62-53(76)42-25-39(69)28-64(42)57(80)44(30(3)66)60-52(41)75/h8-23,29-31,39,41-50,54,66-73,77H,5-7,24-28H2,1-4H3,(H,59,74)(H,60,75)(H,61,78)(H,62,76)(H,63,79)/t29-,30+,31+,39+,41-,42-,43+,44-,45-,46-,47-,48-,49-,50-,54+/m0/s1 | UniProtKB/TrEMBL
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PC cid
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Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Medicine and Dentistry of New Jersey
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans ATCC 90028 glucan synthase at monophasic kinetics |
Antimicrob Agents Chemother 52: 4181-3 (2008)
Article DOI: 10.1128/AAC.00802-08
BindingDB Entry DOI: 10.7270/Q20R9S78 |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50478216
(CHEBI:600520 | Micafungin | Mycamine)Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@@]([H])(NC(=O)[C@H](C[C@@H](O)[C@@H](O)NC(=O)[C@]1([H])[C@@H](O)[C@@H](C)CN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@H](O)[C@@H](O)c1ccc(O)c(OS(O)(=O)=O)c1)[C@H](O)CC(N)=O)NC(=O)c1ccc(cc1)-c1cc(on1)-c1ccc(OCCCCC)cc1)[C@@H](C)O Show InChI InChI=1S/C56H71N9O23S/c1-4-5-6-17-86-32-14-11-28(12-15-32)39-21-33(63-87-39)27-7-9-29(10-8-27)49(75)58-34-20-38(70)52(78)62-54(80)45-46(72)25(2)23-65(45)56(82)43(37(69)22-41(57)71)60-53(79)44(48(74)47(73)30-13-16-36(68)40(18-30)88-89(83,84)85)61-51(77)35-19-31(67)24-64(35)55(81)42(26(3)66)59-50(34)76/h7-16,18,21,25-26,31,34-35,37-38,42-48,52,66-70,72-74,78H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)(H,83,84,85)/t25-,26+,31+,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,48-,52+/m0/s1 | UniProtKB/TrEMBL
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PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 14.8 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Medicine and Dentistry of New Jersey
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans ATCC 90028 glucan synthase at monophasic kinetics |
Antimicrob Agents Chemother 52: 4181-3 (2008)
Article DOI: 10.1128/AAC.00802-08
BindingDB Entry DOI: 10.7270/Q20R9S78 |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida tropicalis) | BDBM50417554
(ANIDULAFUNGIN)Show SMILES CCCCCOc1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@@H](C)O |r| Show InChI InChI=1S/C58H73N7O17/c1-5-6-7-24-82-40-22-18-35(19-23-40)33-10-8-32(9-11-33)34-12-14-37(15-13-34)51(74)59-41-26-43(70)54(77)63-56(79)47-48(71)29(2)27-65(47)58(81)45(31(4)67)61-55(78)46(50(73)49(72)36-16-20-38(68)21-17-36)62-53(76)42-25-39(69)28-64(42)57(80)44(30(3)66)60-52(41)75/h8-23,29-31,39,41-50,54,66-73,77H,5-7,24-28H2,1-4H3,(H,59,74)(H,60,75)(H,61,78)(H,62,76)(H,63,79)/t29-,30+,31+,39+,41-,42-,43+,44-,45-,46-,47-,48-,49-,50-,54+/m0/s1 | UniProtKB/TrEMBL
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PC cid
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 27.7 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Medicine and Dentistry of New Jersey
Curated by ChEMBL
| Assay Description
Inhibition of Candida tropicalis T26 blood stream isolate glucan synthase subunit FKS1p with LLTLSLRDP mutant at monophasic kinetics |
Antimicrob Agents Chemother 52: 4181-3 (2008)
Article DOI: 10.1128/AAC.00802-08
BindingDB Entry DOI: 10.7270/Q20R9S78 |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida tropicalis) | BDBM50478216
(CHEBI:600520 | Micafungin | Mycamine)Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@@]([H])(NC(=O)[C@H](C[C@@H](O)[C@@H](O)NC(=O)[C@]1([H])[C@@H](O)[C@@H](C)CN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@H](O)[C@@H](O)c1ccc(O)c(OS(O)(=O)=O)c1)[C@H](O)CC(N)=O)NC(=O)c1ccc(cc1)-c1cc(on1)-c1ccc(OCCCCC)cc1)[C@@H](C)O Show InChI InChI=1S/C56H71N9O23S/c1-4-5-6-17-86-32-14-11-28(12-15-32)39-21-33(63-87-39)27-7-9-29(10-8-27)49(75)58-34-20-38(70)52(78)62-54(80)45-46(72)25(2)23-65(45)56(82)43(37(69)22-41(57)71)60-53(79)44(48(74)47(73)30-13-16-36(68)40(18-30)88-89(83,84)85)61-51(77)35-19-31(67)24-64(35)55(81)42(26(3)66)59-50(34)76/h7-16,18,21,25-26,31,34-35,37-38,42-48,52,66-70,72-74,78H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)(H,83,84,85)/t25-,26+,31+,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,48-,52+/m0/s1 | UniProtKB/TrEMBL
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| n/a | n/a | 59.6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Medicine and Dentistry of New Jersey
Curated by ChEMBL
| Assay Description
Inhibition of Candida tropicalis T26 blood stream isolate glucan synthase subunit FKS1p with LLTLSLRDP mutant at monophasic kinetics |
Antimicrob Agents Chemother 52: 4181-3 (2008)
Article DOI: 10.1128/AAC.00802-08
BindingDB Entry DOI: 10.7270/Q20R9S78 |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida tropicalis) | BDBM50478215
(CHEBI:474180 | Cancidas | Caspofungin | Caspofungi...)Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@@]([H])(NC(=O)[C@H](C[C@@H](O)[C@@H](NCCN)NC(=O)[C@]1([H])[C@@H](O)CCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCN)NC(=O)CCCCCCCCC(C)CC(C)CC)[C@@H](C)O |r| Show InChI InChI=1S/C52H88N10O15/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75)/t28?,29?,30-,33-,34+,35+,36-,37+,38-,40+,41+,42+,43+,44+,45+,46+/m1/s1 | UniProtKB/TrEMBL
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| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Medicine and Dentistry of New Jersey
Curated by ChEMBL
| Assay Description
Inhibition of Candida tropicalis T26 blood stream isolate glucan synthase subunit FKS1p with LLTLSLRDP mutant at monophasic kinetics |
Antimicrob Agents Chemother 52: 4181-3 (2008)
Article DOI: 10.1128/AAC.00802-08
BindingDB Entry DOI: 10.7270/Q20R9S78 |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida tropicalis) | BDBM50417554
(ANIDULAFUNGIN)Show SMILES CCCCCOc1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@@H](C)O |r| Show InChI InChI=1S/C58H73N7O17/c1-5-6-7-24-82-40-22-18-35(19-23-40)33-10-8-32(9-11-33)34-12-14-37(15-13-34)51(74)59-41-26-43(70)54(77)63-56(79)47-48(71)29(2)27-65(47)58(81)45(31(4)67)61-55(78)46(50(73)49(72)36-16-20-38(68)21-17-36)62-53(76)42-25-39(69)28-64(42)57(80)44(30(3)66)60-52(41)75/h8-23,29-31,39,41-50,54,66-73,77H,5-7,24-28H2,1-4H3,(H,59,74)(H,60,75)(H,61,78)(H,62,76)(H,63,79)/t29-,30+,31+,39+,41-,42-,43+,44-,45-,46-,47-,48-,49-,50-,54+/m0/s1 | UniProtKB/TrEMBL
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PubMed
| n/a | n/a | 204 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Medicine and Dentistry of New Jersey
Curated by ChEMBL
| Assay Description
Inhibition of Candida tropicalis T3 blood stream isolate glucan synthase subunit FKS1p with FLTLS/PLRDP mutant at biphasic kinetics |
Antimicrob Agents Chemother 52: 4181-3 (2008)
Article DOI: 10.1128/AAC.00802-08
BindingDB Entry DOI: 10.7270/Q20R9S78 |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida tropicalis) | BDBM50478216
(CHEBI:600520 | Micafungin | Mycamine)Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@@]([H])(NC(=O)[C@H](C[C@@H](O)[C@@H](O)NC(=O)[C@]1([H])[C@@H](O)[C@@H](C)CN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@H](O)[C@@H](O)c1ccc(O)c(OS(O)(=O)=O)c1)[C@H](O)CC(N)=O)NC(=O)c1ccc(cc1)-c1cc(on1)-c1ccc(OCCCCC)cc1)[C@@H](C)O Show InChI InChI=1S/C56H71N9O23S/c1-4-5-6-17-86-32-14-11-28(12-15-32)39-21-33(63-87-39)27-7-9-29(10-8-27)49(75)58-34-20-38(70)52(78)62-54(80)45-46(72)25(2)23-65(45)56(82)43(37(69)22-41(57)71)60-53(79)44(48(74)47(73)30-13-16-36(68)40(18-30)88-89(83,84)85)61-51(77)35-19-31(67)24-64(35)55(81)42(26(3)66)59-50(34)76/h7-16,18,21,25-26,31,34-35,37-38,42-48,52,66-70,72-74,78H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)(H,83,84,85)/t25-,26+,31+,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,48-,52+/m0/s1 | UniProtKB/TrEMBL
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| n/a | n/a | 223 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Medicine and Dentistry of New Jersey
Curated by ChEMBL
| Assay Description
Inhibition of Candida tropicalis T19 blood stream isolate glucan synthase subunit FKS1p with FLTLS/PLRDP mutant at biphasic kinetics |
Antimicrob Agents Chemother 52: 4181-3 (2008)
Article DOI: 10.1128/AAC.00802-08
BindingDB Entry DOI: 10.7270/Q20R9S78 |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida tropicalis) | BDBM50478216
(CHEBI:600520 | Micafungin | Mycamine)Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@@]([H])(NC(=O)[C@H](C[C@@H](O)[C@@H](O)NC(=O)[C@]1([H])[C@@H](O)[C@@H](C)CN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@H](O)[C@@H](O)c1ccc(O)c(OS(O)(=O)=O)c1)[C@H](O)CC(N)=O)NC(=O)c1ccc(cc1)-c1cc(on1)-c1ccc(OCCCCC)cc1)[C@@H](C)O Show InChI InChI=1S/C56H71N9O23S/c1-4-5-6-17-86-32-14-11-28(12-15-32)39-21-33(63-87-39)27-7-9-29(10-8-27)49(75)58-34-20-38(70)52(78)62-54(80)45-46(72)25(2)23-65(45)56(82)43(37(69)22-41(57)71)60-53(79)44(48(74)47(73)30-13-16-36(68)40(18-30)88-89(83,84)85)61-51(77)35-19-31(67)24-64(35)55(81)42(26(3)66)59-50(34)76/h7-16,18,21,25-26,31,34-35,37-38,42-48,52,66-70,72-74,78H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)(H,83,84,85)/t25-,26+,31+,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,48-,52+/m0/s1 | UniProtKB/TrEMBL
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UniChem
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PubMed
| n/a | n/a | 228 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Medicine and Dentistry of New Jersey
Curated by ChEMBL
| Assay Description
Inhibition of Candida tropicalis T3 blood stream isolate glucan synthase subunit FKS1p with FLTLS/PLRDP mutant at biphasic kinetics |
Antimicrob Agents Chemother 52: 4181-3 (2008)
Article DOI: 10.1128/AAC.00802-08
BindingDB Entry DOI: 10.7270/Q20R9S78 |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida tropicalis) | BDBM50478215
(CHEBI:474180 | Cancidas | Caspofungin | Caspofungi...)Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@@]([H])(NC(=O)[C@H](C[C@@H](O)[C@@H](NCCN)NC(=O)[C@]1([H])[C@@H](O)CCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCN)NC(=O)CCCCCCCCC(C)CC(C)CC)[C@@H](C)O |r| Show InChI InChI=1S/C52H88N10O15/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75)/t28?,29?,30-,33-,34+,35+,36-,37+,38-,40+,41+,42+,43+,44+,45+,46+/m1/s1 | UniProtKB/TrEMBL
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UniChem
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PubMed
| n/a | n/a | 264 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Medicine and Dentistry of New Jersey
Curated by ChEMBL
| Assay Description
Inhibition of Candida tropicalis T19 blood stream isolate glucan synthase subunit FKS1p with FLTLS/PLRDP mutant at biphasic kinetics |
Antimicrob Agents Chemother 52: 4181-3 (2008)
Article DOI: 10.1128/AAC.00802-08
BindingDB Entry DOI: 10.7270/Q20R9S78 |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida tropicalis) | BDBM50417554
(ANIDULAFUNGIN)Show SMILES CCCCCOc1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@@H](C)O |r| Show InChI InChI=1S/C58H73N7O17/c1-5-6-7-24-82-40-22-18-35(19-23-40)33-10-8-32(9-11-33)34-12-14-37(15-13-34)51(74)59-41-26-43(70)54(77)63-56(79)47-48(71)29(2)27-65(47)58(81)45(31(4)67)61-55(78)46(50(73)49(72)36-16-20-38(68)21-17-36)62-53(76)42-25-39(69)28-64(42)57(80)44(30(3)66)60-52(41)75/h8-23,29-31,39,41-50,54,66-73,77H,5-7,24-28H2,1-4H3,(H,59,74)(H,60,75)(H,61,78)(H,62,76)(H,63,79)/t29-,30+,31+,39+,41-,42-,43+,44-,45-,46-,47-,48-,49-,50-,54+/m0/s1 | UniProtKB/TrEMBL
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PubMed
| n/a | n/a | 357 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Medicine and Dentistry of New Jersey
Curated by ChEMBL
| Assay Description
Inhibition of Candida tropicalis T19 blood stream isolate glucan synthase subunit FKS1p with FLTLS/PLRDP mutant at biphasic kinetics |
Antimicrob Agents Chemother 52: 4181-3 (2008)
Article DOI: 10.1128/AAC.00802-08
BindingDB Entry DOI: 10.7270/Q20R9S78 |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida tropicalis) | BDBM50478215
(CHEBI:474180 | Cancidas | Caspofungin | Caspofungi...)Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@@]([H])(NC(=O)[C@H](C[C@@H](O)[C@@H](NCCN)NC(=O)[C@]1([H])[C@@H](O)CCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCN)NC(=O)CCCCCCCCC(C)CC(C)CC)[C@@H](C)O |r| Show InChI InChI=1S/C52H88N10O15/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75)/t28?,29?,30-,33-,34+,35+,36-,37+,38-,40+,41+,42+,43+,44+,45+,46+/m1/s1 | UniProtKB/TrEMBL
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PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Medicine and Dentistry of New Jersey
Curated by ChEMBL
| Assay Description
Inhibition of Candida tropicalis T3 blood stream isolate glucan synthase subunit FKS1p with FLTLS/PLRDP mutant at biphasic kinetics |
Antimicrob Agents Chemother 52: 4181-3 (2008)
Article DOI: 10.1128/AAC.00802-08
BindingDB Entry DOI: 10.7270/Q20R9S78 |
More data for this
Ligand-Target Pair | |
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