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CandActCFTR used public reference

The following publication reference has been reported to contain CFTR related structural information.
"F Becq" "R Ferru-Clément" "C Boinot" "M Jollivet Souchet"


Below you will find all the structures identified in the publication. Be warned that this does not imply any activity. n=5
ID: 4
InChIKey: UQRORFVVSGFNRO-UTINFBMNSA-N
SMILES: CCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O

biological descriptors:

CFTR relevance: CFTR corrector

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

chemical graph of compound 4



CID is 51634
synonyms found at PubChem are:
Miglustat, Zavesca, N-Butyldeoxynojirimycin, 72599-27-0, NB-DNJ, N-Butylmoranoline, N-butyl-1-deoxynojirimycin, BuDNJ, n-Butyl deoxynojirimycin, Butyldeoxynojirimycin, (2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol, n-Butyl dnj, N-(n-Butyl)deoxynojirimycin, SC-48334, Miglustat [USAN], OGT 918, N-Butyl-DNJ, SC 48334, miglustatum, Vevesca, UNII-ADN3S497AZ, Zavesca (TN), OGT-918, 3,4,5-Piperidinetriol, 1-butyl-2-(hydroxymethyl)-, (2R,3r,4R,5S)-, N-Bu-DNJ, Miglustat, Hydrochloride, N-Butyl-deoxynojirimycin, SC48334, ADN3S497AZ, CHEMBL1029, CHEBI:50381, D-Glucitol, 1,5-(butylimino)-1,5-dideoxy-, 1,5-Dideoxy-1,5-N-butylimino-D-glucitol, DSSTox_CID_25618, DSSTox_RID_81006, DSSTox_GSID_45618, N-(n-butyl)-1,5-dideoxy-1,5-imino-D-glucitol, 3,4,5-Piperidinetriol, 1-butyl-2-(hydroxymethyl)-, (2R-(2alpha,3beta,4alpha,5beta))-, NBV, CAS-72599-27-0, Brazaves, Miglustat [USAN:INN:BAN], NCGC00018140-02, Brazaves (TN), Miglustat (USAN/INN), AC1L1BHJ, D0HR8Z, Miglustat (JAN/USAN/INN), SCHEMBL246893, BICL4040, GTPL4841, DTXSID6045618, BDBM18355, UQRORFVVSGFNRO-UTINFBMNSA-N, HMS2090N20, ZINC3794711, Tox21_110830, 3917AH, AN-010, MFCD00272581, AKOS028109118, Tox21_110830_1, ACN-025888, API0003392, CS-2776, DB00419, NCGC00024452-03, NCGC00024452-04, BC677641, HY-17020, LS-116261, N-(n-Butyl)-1-deoxynojirimycin min. 99%, N-Butyldeoxynojirimycin, film (dried in situ), D05032, AB00489939-10, SR-01000000043, SR-01000000043-2, W-203639, 134282-77-2
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: 8
InChIKey: RDOBOPJBMQURAT-UHFFFAOYSA-N
SMILES: CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2)C3=CSC(=N3)NC4=C(C=CC(=C4)Cl)OC

biological descriptors:

CFTR relevance: CFTR corrector

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

chemical graph of compound 8



CID is 1144671
synonyms found at PubChem are:
Corr-4a, RDOBOPJBMQURAT-UHFFFAOYSA-N, 421580-53-2, ST075396, N-(2-(5-Chloro-2-methoxyphenylamino)-4'-methyl-4,5'-bithiazol-2'-yl)benzamide, MLS000561131, Oprea1_189688, Oprea1_471654, SCHEMBL837666, CHEMBL260775, DTXSID00360737, MolPort-001-986-142, ZINC888741, AKOS001665304, MCULE-2724995336, BAS 02936954, KB-57187, SMR000156156, EU-0078205, MLS-0094194.0001, SR-01000492559, SR-01000492559-1, N-[2-(5-Chloro-2-methoxy-phenylamino)-4'-methyl-[4,5']bithiazolyl-2' -yl]-benzamide, N-[2-(5-Chloro-2-methoxy-phenylamino)-4'-methyl-[4,5']bithiazolyl-2'-yl]-benzami, N-[2-(5-Chloro-2-methoxyphenylamino)-4'-methyl-[4,5']bithiazolyl-2'-yl]benzamide, N-{2-[(5-chloro-2-methoxyphenyl)amino]-4'-methyl-4,5'-bi-1,3-thiazol-2'-yl}benzamide, N-(5-{2-[(5-chloro-2-methoxyphenyl)amino](1,3-thiazol-4-yl)}-4-methyl(1,3-thia zol-2-yl))benzamide
ID: 21
InChIKey: WAEXFXRVDQXREF-UHFFFAOYSA-N
SMILES: C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO

biological descriptors:

CFTR relevance: CFTR proteostasis regulator

Category:
Influence on CFTR function enhances CFTR function
Order of interaction indirect
subcellular compartment several

chemical graph of compound 21



CID is 5311
synonyms found at PubChem are:
Vorinostat, 149647-78-9, SAHA, suberoylanilide hydroxamic acid, Zolinza, N-hydroxy-N'-phenyloctanediamide, Suberanilohydroxamic acid, N1-hydroxy-N8-phenyloctanediamide, SAHA cpd, MK-0683, MK0683, Vorinostat [USAN], Octanediamide, N-hydroxy-N'-phenyl-, CCRIS 8456, Vorinostat (SAHA, MK0683), N-Hyrdroxy-N'-phenyloctanediamide, Vorinostat MSD, UNII-58IFB293JI, Zolinza (TN), OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, SHH, N'-hydroxy-N-phenyloctanediamide, CHEMBL98, Vorinostat (JAN/USAN), 58IFB293JI, SKI390, CHEBI:45716, WAEXFXRVDQXREF-UHFFFAOYSA-N, WIN64652, NSC701852, SAHA, Suberoylanilide hydroxamic acid, NSC-701852, NCGC00168085-01, NCGC00168085-02, SW-064652, 8-(hydroxyamino)-8-oxo-N-phenyl-octanamide, Zolinza (TN) (Merck), DSSTox_CID_21133, DSSTox_RID_79632, DSSTox_GSID_41133, N-hydroxy-N'-phenyl-octane-1,8-diotic acid diamide, SMR000486344, NHNPODA, CAS-149647-78-9, SR-05000000373, Vorinostat [USAN:INN], vorinostatum, HSDB 7930, 4lxz, N-Hydroxy-N'-phenyl octanediamide, Zolinza; SAHA, Vorinostat (SAHA), Vorinostat - SAHA, MK 0683, 1zz1, Merck brand of Vorinostat, cc-95, D0E7PQ, AC1L1K2K, cid_5311, SCHEMBL9018, Vorinostat (HDAC inhibitor), Suberoylanilidehydroxamic Acid, MLS001065855, MLS006011941, GTPL6852, Zolinza, MK-0683, SAHA, DTXSID6041133, BDBM19149, CTK8B4125, AOB6083, n-hydroxy-n'-phenyl-octanediamide, QCR-121, SUBERANILOHYDROXAMINIC ACID, SYN3006, 1t69, MolPort-003-850-293, N-hydroxy-N''-phenyloctanediamide, BCPP000018, HMS2219L20, HMS3264D20, HMS3327C12, HMS3650D09, HMS3654G11, HMS3715E22, Pharmakon1600-01502267, BCP01858, KS-00000H3B, N1-hydroxy-N8-phenyl-octanediamide, SAHA, >=98% (HPLC), Vorinostat,SAHA,Zolinza,MK-0683, ZINC1543873, Tox21_112605, Tox21_113623, Vorinostat,CAS:149647-78-9, ANW-43951, MFCD00945317, NSC748799, NSC759852, Octanediamide, N1-hydroxy-N8-phenyl, s1047, SK1390, AKOS015966648, Octanediamide, N1-hydroxy-N8-phenyl-, Tox21_112605_1, AC-1923, AN-5256, CCG-208659, CS-0589, DB02546, DG-0025, MCULE-4234367506, NSC-748799, NSC-759852, RP29421, Suberoylanilide hydroxamic acid (SAHA), NCGC00168085-03, NCGC00168085-04, NCGC00168085-05, NCGC00168085-13, BC677687, BP-30216, HY-10221, KB-60639, SC-20040, AB0009911, LS-186548, LS-186997, LS-187780, RT-015807, AM20030018, FT-0082592, FT-0650593, D06320, K-4759, AB00375377-07, AB00375377-08, AB00375377-09, AB01644613_25, 647S789, P111011, Vorinostat, SAHA, suberoylanilide hydroxamic acid, SR-05000000373-2, SR-05000000373-6, SR-05000000373-8, W-201327, BRD-K81418486-001-01-2, BRD-K81418486-001-10-3, BRD-K81418486-001-12-9, BRD-K81418486-001-13-7, BRD-K81418486-001-17-8, BRD-K81418486-001-18-6, Z1541632802
ID: 2400
InChIKey: VWMSLTGKBPRHSC-CRCLSJGQSA-N
SMILES: C1[C@@H]([C@@](CN1)(CO)O)O

biological descriptors:

CFTR relevance: CFTR corrector

Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown

chemical graph of compound 2400



CID is 46894967
synonyms found at PubChem are:
SCHEMBL17802624, AKOS006356084, 3alpha,4beta-Dihydroxypyrrolidine 3beta-methanol