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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	SCHEMBL6928123
Molecular formula	C22H17Cl2F3N6O4
IUPAC name	2-[5-(2-chlorophenyl)-3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]acetic acid
Molecular weight	557.311
Hydrogen bond acceptor	10
Hydrogen bond donor	2
XlogP	3.9
Synonyms	BWMSBDDWGDIHBZ-INIZCTEOSA-N [5-(2-Chlorophenyl)-3-({3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}methyl)-1H-1,2,4-triazol-1-yl]acetic acid US9187466, 60 BDBM192454 CHEMBL3981686 US9687476, 60 [ Show all ]
Inchi Key	BWMSBDDWGDIHBZ-INIZCTEOSA-N
Inchi ID	InChI=1S/C22H17Cl2F3N6O4/c23-13-7-5-12(6-8-13)19-30-33(21(37)31(19)9-16(34)22(25,26)27)10-17-28-20(32(29-17)11-18(35)36)14-3-1-2-4-15(14)24/h1-8,16,34H,9-11H2,(H,35,36)/t16-/m0/s1
PubChem CID	53378731
ChEMBL	CHEMBL3981686
IUPHAR	N/A
BindingDB	192454
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
536883	Vasopressin V1a receptor	P37288	AVPR1A	Homo sapiens (Human)	418
536882	Vasopressin V2 receptor	P30518	AVPR2	Homo sapiens (Human)	371

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