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CandActCFTR used public reference

The following publication reference has been reported to contain CFTR related structural information.

"E Crespan" "S Tassini" "C Giorgio" "L Delang" "G Fontò" "C Mirabelli" "G Tagliavini" "E Langron" "M Kissova" "C Zamperini" "S Bertoni" "J Neyts" "G Maga" "L Ragionieri" "F Ravanetti" "E Dreassi" "M Radi" "P Vergani" "A Mancini" "K Lanko" "S Palese"

Below you will find all the structures identified in the publication. Be warned that this does not imply any activity. n=23

ID: 20
InChIKey: UFSKUSARDNFIRC-UHFFFAOYSA-N
SMILES: CC1=C(N=C(C=C1)NC(=O)C2(CC2)C3=CC4=C(C=C3)OC(O4)(F)F)C5=CC(=CC=C5)C(=O)O

biological descriptors:

CFTR relevance: CFTR corrector

Category:
Influence on CFTR function enhances CFTR function
Order of interaction binds to CFTR
subcellular compartment ER & Golgi (Translation, quality control, trafficking, PTM)

CID is 16678941
synonyms found at PubChem are:
936727-05-8, Lumacaftor, VX-809, VX 809, VX809, VRT-826809, 3-(6-(1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)-3-methylpyridin-2-yl)benzoic acid, UNII-EGP8L81APK, VRT 826809, EGP8L81APK, 3-(6-{[1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarbonyl]-amino}-3-methyl-pyridin-2-yl)-benzoicacid, 3-(6-{[1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarbonyl]-amino}-3-methyl-pyridin-2-yl)-benzoic acid, 3-(6-[[1-(2,2-DIFLUORO-BENZO[1,3]DIOXOL-5-YL)-CYCLOPROPANECARBONYL]-AMINO]-3-METHYL-PYRIDIN-2-YL)-BENZOIC ACID, 3-(6-{[1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl]amino}-3-methylpyridin-2-yl)benzoic acid, 3-(6-{[1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarbonyl]-amino}-3-methyl-pyridin-2-yl)-be, 3-(6-{[1-(2,2-Difluorobenzo[1,3]dioxol-5-yl)cyclopropanecarbonyl]-amino}-3-methyl-pyridin-2-yl)benzoic acid, 3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methylpyridin-2-yl]benzoic acid, Lumacaftor [USAN:INN], Lumacaftor (USAN), PubChem22450, MLS006011120, SCHEMBL377028, Lumacaftor(vx-809 vx809), GTPL7481, CHEMBL2103870, CHEBI:90951, CTK8B5597, AOB2051, DTXSID30239523, EX-A178, C24H18F2N2O5, MolPort-009-198-874, UFSKUSARDNFIRC-UHFFFAOYSA-N, HMS3655E05, BCP02305, ABP000707, ANW-49250, s1565, VX-809/VX809, ZINC64033452, AKOS015920205, API0007686, CS-0479, DB09280, PB19466, QC-7245, NCGC00346550-01, NCGC00346550-05, 3-(6-(1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamido)-3-methylpyridin-2-yl)benzoic acid, 4CA-0760, AC-23172, AK-36922, AN-16986, AS-31756, BC660192, Benzoic acid, 3-(6-(((1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl)carbonyl)amino)-3-methyl-2-pyridinyl)-, BR-36922, EN002684, HY-13262, KB-81477, SC-95543, SMR004702901, AB0008169, AJ-114588, AX8160252, TC-137995, FT-0757817, ST24028315, W9631, A25628, D10134, S-5955, J-690399, VX809, VX 809, 936727-05-8, 1220975-12-1, 3-(6-([1-(2,2-DIFLUORO-2H-1,3-BENZODIOXOL-5-YL)CYCLOPROPANE]AMIDO)-3-METHYLPYRIDIN-2-YL)BENZOIC ACID, 3-(6-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl) cyclopropanecarboxamido)-3-methylpyridin-2-yl)benzoic acid, 3-(6-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamido)-3-methylpyridin-2-yl)benzoic acid, 3-(6-{[1-(2,2-Difluorobenzo[1,3]dioxol-5-yl)cyclopropanecarbonyl]amino}-3-methyl-pyridin-2-yl)benzoi, 3-(6-{[1-(2,2-Difluorobenzo[1,3]dioxol-5-yl)cyclopropanecarbonyl]amino}-3-methyl-pyridin-2-yl)benzoic acid, 3-[6-[[[1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropyl]carbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid VX 809 Lumacaftor, 3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridyl]benzoic acid, 3-{6-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropaneamido]-3-methylpyridin-2-yl}benzoic acid, 3-{6-[1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropaneamido]-3-methylpyridin-2-yl}benzoic acid

ID: 3101
InChIKey: QAVVZXNUWOEKCV-UHFFFAOYSA-N
SMILES: S1(C(=NC(=C1C=3(N=C(N(C2(CCCCC2))C)SC=3))C)NC(=O)C)

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

CID is 155526648
synonyms found at PubChem are:
CHEMBL4458933, BDBM50506078

ID: 3095
InChIKey: NTZREEWWCNFIMJ-UHFFFAOYSA-N
SMILES: S1(C(=NC(=C1C=2(N=C(NC(=O)CC)SC=2))C)NC(=O)C)

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

CID is 155561108
synonyms found at PubChem are:
CHEMBL4566690, BDBM50506071

ID: 3079
InChIKey: CCUBJOCYQZTYNE-UHFFFAOYSA-N
SMILES: S1(C(=NC(=C1C=3(N=C(N(C2(CCCCC2))CCO)SC=3))C)NC(=O)C(C)(C)C)

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

CID is 155553069
synonyms found at PubChem are:
CHEMBL4544312, BDBM50506065

ID: 3089
InChIKey: KHNUPLUQJFLSLN-UHFFFAOYSA-N
SMILES: S1(C(=NC(=C1C=3(N=C(N(C2(=CC(C(=O)C)=CC=C2))CCO)SC=3))C)NC(=O)C(C)(C)C)

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

CID is 155560887
synonyms found at PubChem are:
CHEMBL4574818, BDBM50506073

ID: 3099
InChIKey: PGPPITSUVBAOTE-UHFFFAOYSA-N
SMILES: S1(C(=NC(=C1C=2(N=C(NCCO)SC=2))C)NC(=O)C)

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

CID is 11220250
synonyms found at PubChem are:
CHEMBL4556068, SCHEMBL4528106, BDBM50506069, N-[5-[2-(2-hydroxyethylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

ID: 3102
InChIKey: QJYUHPGRNQQGGG-UHFFFAOYSA-N
SMILES: S1(C(=NC(=C1C=3(N=C(NC2(CCCCC2))SC=3))C)NC(=O)C)

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

CID is 11348293
synonyms found at PubChem are:
CHEMBL4465048, SCHEMBL4523451, BDBM50506074, N-[5-[2-(cyclohexylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

ID: 3108
InChIKey: XTWGHYUHSFTZLL-UHFFFAOYSA-N
SMILES: S1(C(=NC(=C1C=3(N=C(N(C2(CCCCC2))CCO)SC=3))C)NC(=O)C)

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

CID is 155511230
synonyms found at PubChem are:
CHEMBL4435663, BDBM50506063

ID: 3092
InChIKey: MJUVRTYWUMPBTR-UHFFFAOYSA-N
SMILES: CC(C)(CO)C1=CC2=CC(=C(C=C2N1CC(CO)O)F)NC(=O)C3(CC3)C4=CC5=C(C=C4)OC(O5)(F)F

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

CID is 46199801
synonyms found at PubChem are:
Tezacaftor (Racemate), SCHEMBL322363, HMS3652D20, HMS3748O05, AKOS026750399, NCGC00389346-01, 1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-N-(1-(2,3-dihydroxypropyl)-6-fluoro-2-(1-hydroxy-2-Methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxaMide, 1226709-85-8, DA-47741, CS-0009162, FT-0772351, 1-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)-N-[1-(2,3-DIHYDROXYPROPYL)-6-FLUORO-2-(1-HYDROXY-2-METHYLPROPAN-2-YL)INDOL-5-YL]CYCLOPROPANE-1-CARBOXAMIDE

ID: 3113
InChIKey: ZACBDYXCOJIDOO-UHFFFAOYSA-N
SMILES: S(=O)(=O)(NC=1(SC=C(N=1)C=2(SC(NC(=O)C)=NC=2C)))C=C

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

CID is 155567860
synonyms found at PubChem are:
CHEMBL4589961

ID: 3088
InChIKey: JWENNUJIMLMAJH-UHFFFAOYSA-N
SMILES: S1(C(=NC(=C1C=2(N=C(NC(=O)C=C)SC=2))C)NC(=O)C)

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

CID is 155528709
synonyms found at PubChem are:
CHEMBL4461468, BDBM50506070

ID: 3106
InChIKey: WWUPCEYMTCIFHX-UHFFFAOYSA-N
SMILES: S1(C(=NC(=C1C=2(N=C(NCCO)SC=2))C)NC(=O)OC(C)(C)C)

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

CID is 155518122
synonyms found at PubChem are:
CHEMBL4445768, BDBM50506064

ID: 3112
InChIKey: ZAAVGWLFVJKADF-UHFFFAOYSA-N
SMILES: S1(C(=NC(=C1C=3(N=C(N(C2(=CC(C(=O)C)=CC=C2))CCO)SC=3))C)NC(=O)C)

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

CID is 155546020
synonyms found at PubChem are:
CHEMBL4531023, BDBM50506062

ID: 3078
InChIKey: BHNLPHFGIMIKBX-UHFFFAOYSA-N
SMILES: S1(C(=NC(=C1C=2(N=C(NC(=O)C=CC(C)C)SC=2))C)NC(=O)C)

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

ID: 3086
InChIKey: JCRJFYZSIFGDIG-UHFFFAOYSA-N
SMILES: S1(C(=NC(=C1C=2(N=C(NCCO)SC=2))C)NC(=O)C(C)(C)C)

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

CID is 155565175
synonyms found at PubChem are:
CHEMBL4580215, BDBM50506060

ID: 3103
InChIKey: VMMNKJYKNQCTSD-UHFFFAOYSA-N
SMILES: S1(C(=NC(=C1C=3(N=C(NC2(CCC(C)CC2))SC=3))C)NC(=O)C)

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

CID is 155545735
synonyms found at PubChem are:
CHEMBL4529879, BDBM50506068

ID: 3080
InChIKey: DBGTUHVUTOSJOJ-UHFFFAOYSA-N
SMILES: S1(C(=NC(=C1C=3(N=C(NC2(=CC(C(=O)O)=CC=C2))SC=3))C)NC(=O)C(C)(C)C)

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

CID is 155535344
synonyms found at PubChem are:
CHEMBL4471507, BDBM50506077

ID: 3114
InChIKey: ZEQRQXRPMGQNBI-UHFFFAOYSA-N
SMILES: S1(C(=NC(=C1C=2(N=C(NCCO)SC=2))C)NC(=O)C3(=CC=CC=C3))

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

CID is 155519200
synonyms found at PubChem are:
CHEMBL4447091, BDBM50506076

ID: 3104
InChIKey: VXNBNOYDTNSYQP-UHFFFAOYSA-N
SMILES: [Br]CC(=O)NC=1(SC=C(N=1)C=2(SC(NC(=O)C)=NC=2C))

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

CID is 155567806
synonyms found at PubChem are:
CHEMBL4590346, BDBM50506072

ID: 3107
InChIKey: XGZWWMRJMWUREF-UHFFFAOYSA-N
SMILES: S1(C(=NC(=C1C=2(N=C(NCCC(=O)O)SC=2))C)NC(=O)C(C)(C)C)

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

CID is 155561063
synonyms found at PubChem are:
CHEMBL4574879, BDBM50506075

ID: 3100
InChIKey: PPTPXEJJDHXBKP-UHFFFAOYSA-N
SMILES: S1(C(=NC(=C1C=2(N=C(NCC(=O)O)SC=2))C)NC(=O)C(C)(C)C)

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

CID is 155521426
synonyms found at PubChem are:
CHEMBL4450239, BDBM50506066

ID: 7
InChIKey: PURKAOJPTOLRMP-UHFFFAOYSA-N
SMILES: CC(C)(C)C1=CC(=C(C=C1NC(=O)C2=CNC3=CC=CC=C3C2=O)O)C(C)(C)C

biological descriptors:

CFTR relevance: CFTR stimulator

Category:
Influence on CFTR function enhances CFTR function
Order of interaction binds to CFTR
subcellular compartment Apical membrane & subapical compartment

CID is 16220172
synonyms found at PubChem are:
Ivacaftor, 873054-44-5, VX-770, Kalydeco, Ivacaftor (VX-770), N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide, VX 770, VX770, UNII-1Y740ILL1Z, Kalydeco (TN), CHEBI:66901, N-[2,4-Bis(tert-butyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxo-3-quinolinecarboxamide, 1Y740ILL1Z, 3-Quinolinecarboxamide, N-(2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl)-1,4-dihydro-4-oxo-, Ivacaftor [USAN:INN], ivacaftorum, 3-Quinolinecarboxamide, N-[2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxo-, Ivacaftor D18, Tube715, Ivacaftor (USAN/INN), VX-770 - Ivacaftor, D0W7WC, MLS006011119, SCHEMBL351373, GTPL4342, QUI135, VX-770, Ivacaftor, Kalydeco, CHEMBL2010601, DTXSID00236281, EX-A441, QCR-155, MolPort-009-194-229, PURKAOJPTOLRMP-UHFFFAOYSA-N, BCPP000199, HMS3654E10, AOB31714, ABP000259, BDBM50032693, s1144, VX-770/VX770, ZINC52509463, AKOS015994762, AKOS032950001, BCP9000799, CS-0497, DB08820, EX-7211, LE-0002, KS-0000063W, NCGC00242480-01, 4CA-0661, AC-28324, AN-16981, BC660099, HY-13017, KB-81476, SC-95534, SMR004702900, AB0008116, AB2000007, FT-0696681, X7565, A25626, D09916, W-5681, AB01565806_02, VX770, VX 770, Ivacaftor, 873054-44-5, N-(2,4-ditert-butyl-5-hydroxy-phenyl)-4-oxo-1H-quinoline-3-carboxamide, N-(5-hydroxy-2,4-ditert-butyl-phenyl)-4-oxo-1H-quinoline-3-carboxamide, N-[2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxoquinoline-3-carboxamide, 1134822-00-6, 1174930-71-2, 1413431-05-6, Kalydeco|||N-[2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxo-3-quinolinecarboxamide

ID: 3081
InChIKey: DZTWMQXAKJUHAQ-UHFFFAOYSA-N
SMILES: S1(C(=NC(=C1C=2(N=C(NCCCC(=O)O)SC=2))C)NC(=O)C(C)(C)C)

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

CID is 155518838
synonyms found at PubChem are:
CHEMBL4446939, BDBM50506067