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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	ABT-491 free base
Molecular formula	C28H22FN5O2
IUPAC name	4-ethynyl-3-[3-fluoro-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-N,N-dimethylindole-1-carboxamide
Molecular weight	479.515
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.0
Synonyms	9EU DA-18383 ZB014536 4-ethynyl-3-[3-fluoro-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-N,N-dimethyl-1H-Indole-1-carboxamide AC1L4BOF GTPL1850 4-Ethynyl-N,N-dimethyl-3-[3-fluoro-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-1-carboxamide SCHEMBL7496969 1H-Indole-1-carboxamide, 4-ethynyl-3-(3-fluoro-4-((2-methyl-1H-imidazo(4,5-c)pyridin-1-yl)methyl)benzoyl)-N,N-dimethyl- DTXSID40168870 ZINC600747 4-ethynyl-3-[3-fluoro-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-N,N-dimethylindole-1-carboxamide AYB44L739V L000817 170499-15-7 CHEMBL369225 UNII-AYB44L739V 4-Ethynyl-3-[3-fluoro-4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-indole-1-carboxylic acid dimethylamide ABT491 FT-0709018 4-ethynyl-3-{3-fluoro-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]benzene-1-carbonyl}-N,N-dimethyl-1H-indole-1-carboxamide BDBM50062054 NCGC00165735-01 [ Show all ]
Inchi Key	GDLNHSUSOZEAOR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H22FN5O2/c1-5-18-7-6-8-25-26(18)21(16-34(25)28(36)32(3)4)27(35)19-9-10-20(22(29)13-19)15-33-17(2)31-23-14-30-12-11-24(23)33/h1,6-14,16H,15H2,2-4H3
PubChem CID	154087
ChEMBL	CHEMBL369225
IUPHAR	1850
BindingDB	50062054
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
93746	Platelet-activating factor receptor	P21556	PTAFR	Cavia porcellus (Guinea pig)	342
93747	Platelet-activating factor receptor	P25105	PTAFR	Homo sapiens (Human)	342
93748	Platelet-activating factor receptor	P46002	Ptafr	Rattus norvegicus (Rat)	341

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