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CandActCFTR used public reference

The following publication reference has been reported to contain CFTR related structural information.
"AE Aulabaugh" "JD Hall" "S Shanker" "JD Forman-Kay" "LJ Byrnes" "IV Efremov" "PA Chong" "H Wang" "K Wang"


Below you will find all the structures identified in the publication. Be warned that this does not imply any activity. n=3
ID: 2918
InChIKey: GQMYQEAXTITUAE-UHFFFAOYSA-N
SMILES: C1=CC2=C(C=CN2)C=C1C(=O)N

biological descriptors:

CFTR relevance: α-site binder

Category:
Influence on CFTR function unknown
Order of interaction binds to CFTR
subcellular compartment several

chemical graph of compound 2918



CID is 14973220
synonyms found at PubChem are:
1H-Indole-5-carboxamide, 1670-87-7, Indole-5-carboxamide, SD169, SD-169, 5-Carboxamidoindole, SD 169, 5-Carbamoylindole, MLS006010711, 5-(Aminocarbonyl)-1H-indole, SCHEMBL170646, CHEMBL1435541, BDBM93020, CHEBI:93599, CTK0H1666, 1H-Indole-5-carboxamide, 97%, DTXSID50566323, SYN1079, GQMYQEAXTITUAE-UHFFFAOYSA-N, MolPort-004-768-623, HMS3229J11, HMS3244I21, HMS3244I22, HMS3244J21, HMS3262M03, HMS3267H21, BCP01964, Tox21_500701, ABP000279, RS0058, ZINC13816304, AKOS013029770, LP00701, SD 169/, TRA0047574, NCGC00162142-01, NCGC00162142-02, NCGC00162142-03, NCGC00261386-01, AJ-64416, AN-49655, AS-16234, SMR001456333, KB-157690, LS-193646, FT-0670336, ST24038286, L-2207, 670I877, J-504708, BRD-K91904471-001-01-6
ID: 3037
InChIKey: VVVFEOSCKXCYBU-UHFFFAOYSA-N
SMILES: CN1C2=C(C=C(C=C2)Br)N=C1CO

biological descriptors:

CFTR relevance: ß-site binder

Category:
Influence on CFTR function unknown
Order of interaction binds to CFTR
subcellular compartment several

chemical graph of compound 3037



CID is 63758472
synonyms found at PubChem are:
MolPort-020-519-908, AKOS013069650, (5-bromo-1-methyl-1H-1,3-benzodiazol-2-yl)methanol
ID: 3050
InChIKey: WTFGHMZUJMRWBK-UHFFFAOYSA-N
SMILES: C1=CC2=C(C=C1Br)C(=CN2)CC(=O)O

biological descriptors:

CFTR relevance: BIA site binder

Category:
Influence on CFTR function none
Order of interaction binds to CFTR
subcellular compartment several

chemical graph of compound 3050



CID is 96734
synonyms found at PubChem are:
40432-84-6, 5-Bromoindole-3-acetic acid, 2-(5-bromo-1H-indol-3-yl)acetic acid, (5-Bromo-1H-indol-3-yl)-acetic acid, 1h-indole-3-acetic acid, 5-bromo-, (5-bromo-1H-indol-3-yl)acetic acid, 5-Bromo-3-indoleacetic acid, CHEMBL82440, 5-BROMO-1H-INDOLE-3-ACETIC ACID, 5-Bromoindole-3-aceticacid, 4ojq, NSC88145, EINECS 254-917-8, PubChem15852, ACMC-1AO2Y, 5-BR-IAA, 5-Bromoindole-3acetic acid, AC1L3X3R, AC1Q1H9S, 5-bromo-3-indolylacetic acid, KSC237Q3N, SCHEMBL1519655, CTK1D7836, DTXSID90193455, MolPort-001-759-338, WTFGHMZUJMRWBK-UHFFFAOYSA-N, ZINC404314, AC1Q7506, AC1Q7507, ACT04939, BCP27605, 1H-Indole-3-aceticacid, 5-bromo-, 5-Bromoindole-3-acetic acid, 97%, ANW-50901, BDBM50201889, MFCD00005637, NSC-88145, SBB066626, AKOS005259035, AC-9216, AN-7234, CB-1372, CS-W008295, MCULE-7197362248, QC-9166, RP29054, RTR-016148, TRA0042858, VI30266, AJ-22322, BC004052, BR-30397, DS-12031, KB-42477, 2-(5-bromo-1H-indol-3-yl)-acetic acid, AB0006413, DB-005373, KB-223311, TR-016148, 4CH-007226, A6764, AM20060618, FT-0600594, FT-0620161, ST24027572, ST50308168, W6089, EN300-49939, A-1877, 432B846, Z1245537965, 2-(5-bromo-1H-indol-3-yl)acetic acid;(5-Bromo-1H-indol-3-yl)-aceticacid, 2SX