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CandActCFTR used public reference

The following publication reference has been reported to contain CFTR related structural information.
"BW Ramsey" "SM Moskowitz" "E Tullis" "D Waltz" "MA Mall" "EF McKone" "JL Taylor-Cousar" "F Xuan" "SM Rowe" "CM McKee" "G Marigowda" "J Savage"


Below you will find all the structures identified in the publication. Be warned that this does not imply any activity. n=4

ID: 3085
InChIKey: IGEOJNMYRZUKIK-IBGZPJMESA-N
SMILES: C[C@H]1CC(N(C1)C2=C(C=CC(=N2)N3C=CC(=N3)OCCC4(CC4)C(F)(F)F)C(=O)NS(=O)(=O)C5=CC=CC=C5)(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 3085



CID is 134393443
synonyms found at PubChem are:
Bamocaftor, VX-659, 2204245-48-5, VX659, UNII-8C7XEW3K7S, 8C7XEW3K7S, Bamocaftor (USAN), Bamocaftor [USAN], (S)-N-(phenylsulfonyl)-6-(3-(2-(1-(trifluoromethyl)cyclopropyl)ethoxy)-1H-pyrazol-1-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)nicotinamide, VX 659 pound>>VX659, CHEMBL4297849, SCHEMBL20023905, GTPL10553, BCP29456, EX-A2947, WHO 11167, DB15177, compound 1 [WO2018064632A1], D11535, 3-Pyridinecarboxamide, N-(phenylsulfonyl)-6-(3-(2-(1-(trifluoromethyl)cyclopropyl)ethoxy)-1H-pyrazol-1-yl)-2-((4S)-2,2,4-trimethyl-1-pyrrolidinyl)-, N-(benzenesulfonyl)-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide, N-(phenylsulfonyl)-6-(3-(2-(1-(trifluoromethyl)cyclopropyl)ethoxy)-1H-pyrazol-1-yl)-2-(2,2,4-trimethyl-1-pyrrolidinyl)nicotinamide

ID: 3093
InChIKey: MVRHVFSOIWFBTE-INIZCTEOSA-N
SMILES: C[C@H]1CC(N(C1)C2=C(C=CC(=N2)N3C=CC(=N3)OCC(C)(C)C(F)(F)F)C(=O)NS(=O)(=O)C4=CN(N=C4C)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 3093



CID is 134587348
synonyms found at PubChem are:
Elexacaftor, 2216712-66-0, VX-445, UNII-RRN67GMB0V, RRN67GMB0V, Elexacaftor (USAN), Elexacaftor [USAN], (S)-N-((1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl)-6-(3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)nicotinamide, 3-Pyridinecarboxamide, N-((1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl)-6-(3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl)-2-((4S)-2,2,4-trimethyl-1-pyrrolidinyl)-, Elexacaftor (VX-445), CHEMBL4298128, SCHEMBL20239811, GTPL10552, EX-A3637, N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide, s8851, WHO 11180, DB15444, Compound 1 [WO2018107100A1], HY-111772, CS-0090942, D11507

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: 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