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CandActCFTR used public reference

The following publication reference has been reported to contain CFTR related structural information.
"GL Lukacs" "PW Phuan" "AS Verkman" "AB Wood" "JM Knapp" "MJ Kurth" "B Yang"


Below you will find all the structures identified in the publication. Be warned that this does not imply any activity. n=12
ID: 195
InChIKey: AYYIGRQBAFQJNP-UHFFFAOYSA-N
SMILES: CC1=CC2=C(C=C1)N=C(C(=C2)C#N)NCCNC(=O)C3=CC(=C(C=C3)OC)OC

biological descriptors:

CFTR relevance: CFTR Corrector and Potentiator

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

chemical graph of compound 195



CID is 3217032
synonyms found at PubChem are:
ASN 06146861, 606105-54-8, N-[2-(3-Cyano-6-methyl-quinolin-2-ylamino)-ethyl]-3,4-dimethoxy-benzamide, AC1MLAS4, MLS001212847, CHEMBL1403454, SCHEMBL14235628, CTK5B1874, DTXSID50390443, HMS2838E12, ZINC19221181, AKOS000765357, SMR000503709, KB-301135, SR-01000341403, SR-01000341403-1, N-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]-3,4-dimeth, N-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]-3,4-dimethoxybenzamide, N-{2-[(3-Cyano-6-methyl-2-quinolinyl)amino]ethyl}-3,4-dimethoxybenzamide, BENZAMIDE, N-[2-[(3-CYANO-6-METHYL-2-QUINOLINYL)AMINO]ETHYL]-3,4-DIMETHOXY-
ID: 2185
InChIKey: TZGJSWWPNARXQC-UHFFFAOYSA-N
SMILES: CC1=CC(=C2C=C(C(=NC2=C1)NCCNC(=O)C3=CC(=CC=C3)OC)C#N)C

biological descriptors:

CFTR relevance: CFTR Corrector and Potentiator

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

chemical graph of compound 2185



CID is 3224090
synonyms found at PubChem are:
ASN 06744166, 606101-83-1, N-(2-((3-Cyano-5,7-dimethylquinolin-2-yl)amino)ethyl)-3-methoxybenzamide, N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]-3-methoxybenzamide, AC1MLOXC, CoPo 22, MLS003674353, CHEMBL2018574, SCHEMBL14125564, CTK5B1828, DTXSID70390480, MolPort-000-101-486, TZGJSWWPNARXQC-UHFFFAOYSA-N, HMS1705K09, ZINC19124383, AKOS000688408, NCGC00386637-01, SMR002353823, KB-301130, N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]-3-meth, N-[2-(3-Cyano-5,7-dimethyl-quinolin-2-ylamino)-ethyl]-3-methoxy-benzamide, N-{2-[(3-Cyano-5,7-dimethyl-2-quinolinyl)amino]ethyl}-3-methoxybenzamide, BENZAMIDE, N-[2-[(3-CYANO-5,7-DIMETHYL-2-QUINOLINYL)AMINO]ETHYL]-3-METHOXY-
ID: 2946
InChIKey: KBGSVTREQRCYHG-UHFFFAOYSA-N
SMILES: C2(=CC=C1C=C(C(=NC1=C2)N3CCN(CCC3)C(C4=CC=CS4)=O)C#N)C.CC

biological descriptors:

CFTR relevance: CFTR potentiator

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

chemical graph of compound 2946



ID: 3062
InChIKey: YAZWGQPBZYRJOI-UHFFFAOYSA-N
SMILES: C2=C(C=C1C=C(C(=NC1=C2)N3CCN(CC3)C(C4=C(C=CC=C4)Cl)=O)C#N)OC.CC

biological descriptors:

CFTR relevance: CFTR potentiator

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

chemical graph of compound 3062



ID: 544
InChIKey: DZZGIXHAFVXSKV-UHFFFAOYSA-N
SMILES: CC1=C(C=CC(=C1C)S(=O)(=O)N2C=CN=C2C)OC

biological descriptors:

CFTR relevance: CFTR Corrector and Potentiator

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

chemical graph of compound 544



CID is 1094932
synonyms found at PubChem are:
801224-90-8, BAS 09620936, F1696-0184, 1-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2-methylimidazole, 1-((4-methoxy-2,3-dimethylphenyl)sulfonyl)-2-methyl-1H-imidazole, 1-(4-Methoxy-2,3-dimethyl-benzenesulfonyl)-2-methyl-1H-imidazole, AC1LM1YZ, MLS001202930, CHEMBL1360496, DZZGIXHAFVXSKV-UHFFFAOYSA-N, MolPort-002-015-475, HMS2833P13, ZINC816467, AKOS002286101, MCULE-7772630708, SMR000524602, ST50287774, AP-263/42610970, SR-01000367214, SR-01000367214-1, Z57705542, 1-[(4-methoxy-2,3-dimethylphenyl)sulfonyl]-2-methylimidazole, 1-(4-methoxy-2,3-dimethylbenzenesulfonyl)-2-methyl-1H-imidazole, 2,3-dimethyl-4-[(2-methyl-1H-imidazol-1-yl)sulfonyl]phenyl methyl ether
ID: 3069
InChIKey: ZIEPEWXOOMYMCQ-UHFFFAOYSA-N
SMILES: C2=CC=C1C=C(C(=NC1=C2C)NCCNC(NC3=CC=CC=C3OCC)=S)C#N.CC

biological descriptors:

CFTR relevance: CFTR potentiator

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

chemical graph of compound 3069



ID: 1131
InChIKey: JYNZQZIFQZJCBW-UHFFFAOYSA-N
SMILES: CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=NN2C3=CC4=C(C=C3)OCO4

biological descriptors:

CFTR relevance: CFTR Corrector and Potentiator

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

chemical graph of compound 1131



CID is 1175670
synonyms found at PubChem are:
ASN 04455937, AC1LM9VO, Oprea1_826725, ZINC932399, AKOS000690345, 2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
ID: 2449
InChIKey: WEYXYSUHILNIFY-UHFFFAOYSA-N
SMILES: CC1=CC(=C2C=C(C(=NC2=C1)NCCNC(=O)C3=CC=CS3)C#N)C

biological descriptors:

CFTR relevance: CFTR Corrector and Potentiator

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

chemical graph of compound 2449



CID is 3221675
synonyms found at PubChem are:
ASN 06539861, AC1MLL8L, SCHEMBL14235634, AKOS000680306, N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]thiophene-2-carboxamide
ID: 2977
InChIKey: NOGRVEQYQUCZIW-UHFFFAOYSA-N
SMILES: C2=C(C=C1C=C(C(=NC1=C2)N3CCN(CC3)C(C4=CC=CC=C4F)=O)C#N)OC.CC

biological descriptors:

CFTR relevance: CFTR Corrector and Potentiator

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

chemical graph of compound 2977



ID: 1829
InChIKey: QIWICSQKMCMGIS-UHFFFAOYSA-N
SMILES: CC1=CC2=C(C=C1)N=C(C(=C2)C#N)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC

biological descriptors:

CFTR relevance: CFTR Corrector and Potentiator

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

chemical graph of compound 1829



CID is 3214072
synonyms found at PubChem are:
ASN 05920139, AC1ML3YD, Oprea1_188386, SCHEMBL14235626, AKOS000697577, 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylquinoline-3-carbonitrile
ID: 2755
InChIKey: YUTIFCZVCWLLRH-UHFFFAOYSA-N
SMILES: CC1=CC=CC2=C1N=C(C(=C2)C#N)NCCNC(=O)C3=CC(=C(C=C3)OC)OC

biological descriptors:

CFTR relevance: CFTR Corrector and Potentiator

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

chemical graph of compound 2755



CID is 3217019
synonyms found at PubChem are:
606105-18-4, N-[2-(3-Cyano-8-methyl-quinolin-2-ylamino)-ethyl]-3,4-dimethoxy-benzamide, N-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]-3,4-dimethoxybenzamide, N-{2-[(3-Cyano-8-methylquinolin-2-yl)amino]ethyl}-3,4-dimethoxybenzamide, AC1MLAR1, MLS001212849, CHEMBL1583913, SCHEMBL14235623, CTK5B1861, DTXSID80390436, HMS1684M07, HMS2838E04, ZINC4881259, AKOS000765246, MCULE-9320928985, ASN 06146799, SMR000503707, KB-301142, SR-01000341399, SR-01000341399-1, N-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]-3,4-dimeth, N-{2-[(3-Cyano-8-methyl-2-quinolinyl)amino]ethyl}-3,4-dimethoxybenzamide, BENZAMIDE, N-[2-[(3-CYANO-8-METHYL-2-QUINOLINYL)AMINO]ETHYL]-3,4-DIMETHOXY-