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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	BMS-694153
Molecular formula	C35H45FN8O3
IUPAC name	4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
Molecular weight	644.796
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	3.6
Synonyms	69MB5VHL5J (R)-4-(8-Fluoro-2-oxo-1,2-dihydroquinazolin-3(4H)-yl)-N-(3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-(piperidin-1-yl)piperidin-1-yl)propan-2-yl)piperidine-1-carboxamide D05MSG 1050381-35-5 BDBM50268484 (R)-N-(1-(1,4''-bipiperidin-1''-yl)-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl)-4-(8-fluoro-2-oxo-1,2-dihydroquinazolin-3(4H)-yl)piperidine-1-carboxamide UNII-69MB5VHL5J BMS 694153 CHEMBL450668 1-Piperidinecarboxamide, N-((1R)-2-(1,4'-bipiperidin)-1'-yl-1-((7-methyl-1H-indazol-5-yl)methyl)-2-oxoethyl)-4-(8-fluoro-1,4-dihydro-2-oxo-3(2H)-quinazolinyl)- [ Show all ]
Inchi Key	HBOINTMVWRSZQS-SSEXGKCCSA-N
Inchi ID	InChI=1S/C35H45FN8O3/c1-23-18-24(19-26-21-37-40-31(23)26)20-30(33(45)42-14-8-27(9-15-42)41-12-3-2-4-13-41)38-34(46)43-16-10-28(11-17-43)44-22-25-6-5-7-29(36)32(25)39-35(44)47/h5-7,18-19,21,27-28,30H,2-4,8-17,20,22H2,1H3,(H,37,40)(H,38,46)(H,39,47)/t30-/m1/s1
PubChem CID	44593666
ChEMBL	CHEMBL450668
IUPHAR	N/A
BindingDB	50268484
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
110724	Calcitonin gene-related peptide type 1 receptor	Q16602	CALCRL	Homo sapiens (Human)	461
110725	Calcitonin gene-related peptide type 1 receptor	Q63118	Calcrl	Rattus norvegicus (Rat)	464
110726	Calcitonin receptor	P30988	CALCR	Homo sapiens (Human)	508

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