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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	SCHEMBL255943
Molecular formula	C24H22ClF6N5O5
IUPAC name	[3-[[2-[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetyl]amino]-2-[3-(trifluoromethyl)phenyl]propyl] carbamate
Molecular weight	609.91
Hydrogen bond acceptor	12
Hydrogen bond donor	3
XlogP	3.6
Synonyms	CHEMBL3946734 BDBM190305 US9180120, 9
Inchi Key	CEZYTGSBHUQSDR-PKHIMPSTSA-N
Inchi ID	InChI=1S/C24H22ClF6N5O5/c25-17-6-4-13(5-7-17)20-34-36(22(40)35(20)10-18(37)24(29,30)31)11-19(38)33-9-15(12-41-21(32)39)14-2-1-3-16(8-14)23(26,27)28/h1-8,15,18,37H,9-12H2,(H2,32,39)(H,33,38)/t15?,18-/m0/s1
PubChem CID	56848488
ChEMBL	CHEMBL3946734
IUPHAR	N/A
BindingDB	190305
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.

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
537026	Vasopressin V1a receptor	P37288	AVPR1A	Homo sapiens (Human)	418
537025	Vasopressin V2 receptor	P30518	AVPR2	Homo sapiens (Human)	371

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