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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	CHEMBL2391300
Molecular formula	C27H44N4O5S2
IUPAC name	(2S)-N-[(1S,2S,4R)-7,7-dimethyl-1-[[4-(2-methylphenyl)piperazin-1-yl]sulfonylmethyl]-2-bicyclo[2.2.1]heptanyl]-2-(methylamino)-4-methylsulfonylbutanamide
Molecular weight	568.792
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	2.6
Synonyms	BDBM50435057
Inchi Key	CZRITFDAPBAXMY-SMAWTLEESA-N
Inchi ID	InChI=1S/C27H44N4O5S2/c1-20-8-6-7-9-23(20)30-13-15-31(16-14-30)38(35,36)19-27-12-10-21(26(27,2)3)18-24(27)29-25(32)22(28-4)11-17-37(5,33)34/h6-9,21-22,24,28H,10-19H2,1-5H3,(H,29,32)/t21-,22+,24+,27-/m1/s1
PubChem CID	10483105
ChEMBL	CHEMBL2391300
IUPHAR	N/A
BindingDB	50435057
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
54585	Oxytocin receptor	P30559	OXTR	Homo sapiens (Human)	389
54589	Oxytocin receptor	P70536	Oxtr	Rattus norvegicus (Rat)	388
54588	Vasopressin V1a receptor	P30560	Avpr1a	Rattus norvegicus (Rat)	424
54590	Vasopressin V1a receptor	P37288	AVPR1A	Homo sapiens (Human)	418
54584	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424
54586	Vasopressin V2 receptor	P30518	AVPR2	Homo sapiens (Human)	371
54587	Vasopressin V2 receptor	Q00788	Avpr2	Rattus norvegicus (Rat)	371

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