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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	Faldaprevir
Molecular formula	C40H49BrN6O9S
IUPAC name	(1R,2S)-1-[[(2S,4R)-4-[8-bromo-7-methoxy-2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylic acid
Molecular weight	869.829
Hydrogen bond acceptor	12
Hydrogen bond donor	4
XlogP	6.4
Synonyms	801283-95-4 Cyclopropanecarboxylic acid, N-((cyclopentyloxy)carbonyl)-3-methyl-L-valyl- (4R)-4-((8-bromo-7-methoxy-2-(2-((2-methyl-1-oxopropyl)amino)-4-thiazolyl)-4-quinolinyl)oxy)-L-prolyl-1-amino-2-ethenyl-, (1R,2S)- SB16712 BI 201335 (1R,2S)-1-[[(2S,4R)-4-[[8-bromo-7-methoxy-2-[2-(2-methylpropanoylamino)thiazol-4-yl]-4-quinolyl]oxy]-1-[(2S)-2-(cyclopentoxycarbonylamino)-3,3-dimethyl-butanoyl]pyrrolidine-2-carbonyl]amino]-2-vinyl-cyclopropanecarboxylic acid N-((Cyclopentyloxy)carbonyl)-3-methylvalyl-4-((8-bromo-7-methoxy-2-(2-((2-methylpropanoyl)amino)-1,3-thiazol-4-yl)quinolin-4-yl)oxy)-N-(1-carboxy-2-ethenylcyclopropyl)prolinamide 958X4J301A D06KJQ SCHEMBL222429 BI-201335 Faldaprevir [USAN:INN] 1214735-15-5 CHEMBL1241348 N-[(Cyclopentyloxy)carbonyl]-3-Methyl-L-Valyl-(4r)-4-[(8-Bromo-7-Methoxy-2-{2-[(2-Methylpropanoyl)amino]-1,3-Thiazol-4-Yl}quinolin-4-Yl)oxy]-N-[(1r,2s)-1-Carboxy-2-Ethenylcyclopropyl]-L-Prolinamide BDBM50336545 DB11808 UNII-958X4J301A (1R,2S)-1-((2S,4R)-4-(8-bromo-2-(2-isobutyramidothiazol-4-yl)-7-methoxyquinolin-4-yloxy)-1-((S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl)pyrrolidine-2-carboxamido)-2-vinylcyclopropanecarboxylic acid BI201335 L4T [ Show all ]
Inchi Key	LLGDPTDZOVKFDU-XUHJSTDZSA-N
Inchi ID	InChI=1S/C40H49BrN6O9S/c1-8-21-17-40(21,36(51)52)46-34(49)27-15-23(18-47(27)35(50)32(39(4,5)6)44-38(53)56-22-11-9-10-12-22)55-29-16-25(26-19-57-37(43-26)45-33(48)20(2)3)42-31-24(29)13-14-28(54-7)30(31)41/h8,13-14,16,19-23,27,32H,1,9-12,15,17-18H2,2-7H3,(H,44,53)(H,46,49)(H,51,52)(H,43,45,48)/t21-,23-,27+,32-,40-/m1/s1
PubChem CID	42601552
ChEMBL	CHEMBL1241348
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
190229	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
190241	5-hydroxytryptamine receptor 2A	P14842	Htr2a	Rattus norvegicus (Rat)	471
190232	5-hydroxytryptamine receptor 4	O70528	HTR4	Cavia porcellus (Guinea pig)	388
190240	5-hydroxytryptamine receptor 6	P50406	HTR6	Homo sapiens (Human)	440
190230	5-hydroxytryptamine receptor 7	P34969	HTR7	Homo sapiens (Human)	479
190238	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
190235	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
190228	Alpha-1A adrenergic receptor	P43140	Adra1a	Rattus norvegicus (Rat)	466
190227	Alpha-2A adrenergic receptor	P22909	Adra2a	Rattus norvegicus (Rat)	450
190239	D(1A) dopamine receptor	P21728	DRD1	Homo sapiens (Human)	446
190237	D(1B) dopamine receptor	P21918	DRD5	Homo sapiens (Human)	477
190233	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
190236	D(3) dopamine receptor	P35462	DRD3	Homo sapiens (Human)	400
526960	D(4) dopamine receptor	P21917	DRD4	Homo sapiens (Human)	467
190231	Histamine H1 receptor	P35367	HRH1	Homo sapiens (Human)	487
190234	Histamine H2 receptor	P25021	HRH2	Homo sapiens (Human)	359
190242	Thromboxane A2 receptor	P21731	TBXA2R	Homo sapiens (Human)	343

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