Found 29 hits Enz. Inhib. hit(s) with Target = '1,3-beta-glucan synthase' and Ligand = 'BDBM50478216' 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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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
| Article
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 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
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Public Health Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of glucan synthase in Candida albicans ATCC 36082 |
Antimicrob Agents Chemother 51: 2253-6 (2007)
Article DOI: 10.1128/aac.01536-06
BindingDB Entry DOI: 10.7270/Q2028VB5 |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Neosartorya fumigata) | 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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
UMDNJ-New Jersey Medical School
Curated by ChEMBL
| Assay Description
Inhibition of 1,3-beta-D-glucan synthase EMFR-S678P mutant from Aspergillus fumigatus assessed as incorporation of [3H]glucose |
Antimicrob Agents Chemother 51: 4174-6 (2007)
Article DOI: 10.1128/aac.00917-07
BindingDB Entry DOI: 10.7270/Q24J0HXP |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(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
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Public Health Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of glucan synthase in Candida albicans ATCC 90028 |
Antimicrob Agents Chemother 51: 2253-6 (2007)
Article DOI: 10.1128/aac.01536-06
BindingDB Entry DOI: 10.7270/Q2028VB5 |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(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
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Public Health Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of glucan synthase in Candida albicans ATCC 36082 in presence of 10% human serum |
Antimicrob Agents Chemother 51: 2253-6 (2007)
Article DOI: 10.1128/aac.01536-06
BindingDB Entry DOI: 10.7270/Q2028VB5 |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(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
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Public Health Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of glucan synthase in Candida albicans SC5314 |
Antimicrob Agents Chemother 51: 2253-6 (2007)
Article DOI: 10.1128/aac.01536-06
BindingDB Entry DOI: 10.7270/Q2028VB5 |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(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
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 22.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Public Health Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of glucan synthase in Candida albicans ATCC 90028 in presence of 10% human serum |
Antimicrob Agents Chemother 51: 2253-6 (2007)
Article DOI: 10.1128/aac.01536-06
BindingDB Entry DOI: 10.7270/Q2028VB5 |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(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
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 24.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Public Health Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of glucan synthase in Candida albicans ATCC 36082 in presence of 20% human serum |
Antimicrob Agents Chemother 51: 2253-6 (2007)
Article DOI: 10.1128/aac.01536-06
BindingDB Entry DOI: 10.7270/Q2028VB5 |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(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
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Public Health Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of glucan synthase in Candida albicans SC5314 in presence of 10% human serum |
Antimicrob Agents Chemother 51: 2253-6 (2007)
Article DOI: 10.1128/aac.01536-06
BindingDB Entry DOI: 10.7270/Q2028VB5 |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(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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UniChem
| Article
PubMed
| n/a | n/a | 39.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Public Health Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of glucan synthase in Candida albicans ATCC 90028 in presence of 20% human serum |
Antimicrob Agents Chemother 51: 2253-6 (2007)
Article DOI: 10.1128/aac.01536-06
BindingDB Entry DOI: 10.7270/Q2028VB5 |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(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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UniChem
| Article
PubMed
| n/a | n/a | 39.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Public Health Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of glucan synthase in Candida albicans SC5314 in presence of 20% human serum |
Antimicrob Agents Chemother 51: 2253-6 (2007)
Article DOI: 10.1128/aac.01536-06
BindingDB Entry DOI: 10.7270/Q2028VB5 |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida glabrata) | 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 | 39.9 | 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 glabrata isolate 5416 1,3-beta-D-glucan synthase wild type Fks1p/Fks2p W1375L mutant |
Antimicrob Agents Chemother 53: 3690-9 (2009)
Article DOI: 10.1128/AAC.00443-09
BindingDB Entry DOI: 10.7270/Q21C20QW |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(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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UniChem
| Article
PubMed
| n/a | n/a | 44.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Public Health Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of glucan synthase in Candida albicans ATCC 36082 in presence of 50% human serum |
Antimicrob Agents Chemother 51: 2253-6 (2007)
Article DOI: 10.1128/aac.01536-06
BindingDB Entry DOI: 10.7270/Q2028VB5 |
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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| Article
PubMed
| 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 glabrata) | 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 | 69.8 | 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 glabrata isolate 42031 1,3-beta-D-glucan synthase wild type Fks1p/Fks2p D666E mutant |
Antimicrob Agents Chemother 53: 3690-9 (2009)
Article DOI: 10.1128/AAC.00443-09
BindingDB Entry DOI: 10.7270/Q21C20QW |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(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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UniChem
| Article
PubMed
| n/a | n/a | 70.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Public Health Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of glucan synthase in Candida albicans SC5314 in presence of 50% human serum |
Antimicrob Agents Chemother 51: 2253-6 (2007)
Article DOI: 10.1128/aac.01536-06
BindingDB Entry DOI: 10.7270/Q2028VB5 |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(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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PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Public Health Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of glucan synthase in Candida albicans ATCC 90028 in presence of 50% human serum |
Antimicrob Agents Chemother 51: 2253-6 (2007)
Article DOI: 10.1128/aac.01536-06
BindingDB Entry DOI: 10.7270/Q2028VB5 |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida glabrata) | 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 | 79.2 | 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 glabrata isolate 41400 1,3-beta-D-glucan synthase wild type Fks1p/Fks2p D666G mutant |
Antimicrob Agents Chemother 53: 3690-9 (2009)
Article DOI: 10.1128/AAC.00443-09
BindingDB Entry DOI: 10.7270/Q21C20QW |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida glabrata) | 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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PubMed
| n/a | n/a | 87.3 | 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 glabrata isolate 51916 1,3-beta-D-glucan synthase wild type Fks1p/Fks2p P667T mutant |
Antimicrob Agents Chemother 53: 3690-9 (2009)
Article DOI: 10.1128/AAC.00443-09
BindingDB Entry DOI: 10.7270/Q21C20QW |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida glabrata) | 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 | 89.4 | 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 glabrata isolate 234 1,3-beta-D-glucan synthase wild type Fks1p/Fks2p F659V mutant |
Antimicrob Agents Chemother 53: 3690-9 (2009)
Article DOI: 10.1128/AAC.00443-09
BindingDB Entry DOI: 10.7270/Q21C20QW |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida glabrata) | 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 | PDB
UniProtKB/TrEMBL
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UniChem
| Article
PubMed
| n/a | n/a | 99.4 | 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 glabrata isolate 42997 1,3-beta-D-glucan synthase Fks1p F625S mutant/wild type Fks2p |
Antimicrob Agents Chemother 53: 3690-9 (2009)
Article DOI: 10.1128/AAC.00443-09
BindingDB Entry DOI: 10.7270/Q21C20QW |
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 | 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
| Article
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 glabrata) | 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 | PDB
UniProtKB/TrEMBL
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UniChem
| Article
PubMed
| n/a | n/a | 270 | 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 glabrata isolate 21900 1,3-beta-D-glucan synthase Fks1p D632G mutant/wild type Fks2p |
Antimicrob Agents Chemother 53: 3690-9 (2009)
Article DOI: 10.1128/AAC.00443-09
BindingDB Entry DOI: 10.7270/Q21C20QW |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida glabrata) | 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 | PDB
UniProtKB/TrEMBL
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UniChem
| Article
PubMed
| n/a | n/a | 350 | 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 glabrata isolate 3169 1,3-beta-D-glucan synthase Fks1p D632E mutant/wild type Fks2p |
Antimicrob Agents Chemother 53: 3690-9 (2009)
Article DOI: 10.1128/AAC.00443-09
BindingDB Entry DOI: 10.7270/Q21C20QW |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida glabrata) | 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 | PDB
UniProtKB/TrEMBL
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UniChem
| Article
PubMed
| n/a | n/a | 672 | 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 glabrata isolate 5847 1,3-beta-D-glucan synthase Fks1p S629P mutant/wild type Fks2p |
Antimicrob Agents Chemother 53: 3690-9 (2009)
Article DOI: 10.1128/AAC.00443-09
BindingDB Entry DOI: 10.7270/Q21C20QW |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida glabrata) | 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 | 839 | 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 glabrata isolate 41026 1,3-beta-D-glucan synthase wild type Fks1p/Fks2p F659S mutant |
Antimicrob Agents Chemother 53: 3690-9 (2009)
Article DOI: 10.1128/AAC.00443-09
BindingDB Entry DOI: 10.7270/Q21C20QW |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida glabrata) | 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 | 2.02E+3 | 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 glabrata isolate 3830 1,3-beta-D-glucan synthase wild type Fks1p/Fks2p S663P mutant |
Antimicrob Agents Chemother 53: 3690-9 (2009)
Article DOI: 10.1128/AAC.00443-09
BindingDB Entry DOI: 10.7270/Q21C20QW |
More data for this
Ligand-Target Pair | |
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