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CandActCFTR used public reference

The following publication reference has been reported to contain CFTR related structural information.
"G Fontò" "P Vergani" "J Neyts" "C Zamperini" "F Ravanetti" "E Crespan" "E Langron" "K Lanko" "E Dreassi" "M Kissova" "L Delang" "S Bertoni" "M Radi" "C Mirabelli" "L Ragionieri" "C Giorgio" "S Palese" "S Tassini" "A Mancini" "G Maga" "G Tagliavini"


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)

chemical graph of compound 20



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

chemical graph of compound 3101



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

chemical graph of compound 3095



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

chemical graph of compound 3079



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

chemical graph of compound 3089



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

chemical graph of compound 3099



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

chemical graph of compound 3102



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

chemical graph of compound 3108



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

chemical graph of compound 3092



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

chemical graph of compound 3113



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

chemical graph of compound 3088



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

chemical graph of compound 3106



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

chemical graph of compound 3112



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

chemical graph of compound 3078



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

chemical graph of compound 3086



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

chemical graph of compound 3103



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

chemical graph of compound 3080



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

chemical graph of compound 3114



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

chemical graph of compound 3104



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

chemical graph of compound 3107



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

chemical graph of compound 3100



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

chemical graph of compound 7



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

chemical graph of compound 3081



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