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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	CHEMBL1651821
Molecular formula	C65H72N14O7S2
IUPAC name	4-[3-[[2-[[1-[2-[2-[2-[4-[[4-[(4S)-1-acetyl-2,2,4-trimethyl-6-[(4-phenylbenzoyl)amino]-3H-quinolin-4-yl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]-2-oxoethyl]amino]phenyl]-5-amino-N-tert-butyl-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide
Molecular weight	1225.5
Hydrogen bond acceptor	17
Hydrogen bond donor	5
XlogP	8.5
Synonyms	BDBM50335476 (S)-4-(3-(2-((1-(2-(2-(2-(4-((4-(1-acetyl-6-biphenyl-4-ylcarboxamido-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-4-yl)phenoxy)methyl)-1H-1,2,3-triazol-1-yl)ethoxy)ethoxy)ethyl)-1H-1,2,3-triazol-4-yl)methylamino)-2-oxoethylamino)phenyl)-5-amino-N-tert-butyl
Inchi Key	LPTFUKMDWXCPBR-FZWUFXCXSA-N
Inchi ID	InChI=1S/C65H72N14O7S2/c1-41(80)79-53-26-23-48(69-59(82)44-19-17-43(18-20-44)42-13-10-9-11-14-42)34-52(53)65(7,40-64(79,5)6)46-21-24-51(25-22-46)86-39-50-38-78(76-74-50)28-30-85-32-31-84-29-27-77-37-49(73-75-77)35-68-54(81)36-67-47-16-12-15-45(33-47)57-55-56(66)58(60(83)72-63(2,3)4)88-61(55)71-62(70-57)87-8/h9-26,33-34,37-38,67H,27-32,35-36,39-40,66H2,1-8H3,(H,68,81)(H,69,82)(H,72,83)/t65-/m0/s1
PubChem CID	53324741
ChEMBL	CHEMBL1651821
IUPHAR	N/A
BindingDB	50335476
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
193399	Follicle-stimulating hormone receptor	P23945	FSHR	Homo sapiens (Human)	695
193398	Lutropin-choriogonadotropic hormone receptor	P22888	LHCGR	Homo sapiens (Human)	699

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