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CandActCFTR used public reference

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