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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	CHEMBL33743
Molecular formula	C45H53N7O6
IUPAC name	2-[(3R)-3-[(3-methylphenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethyl N-[4-oxo-4-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]butyl]carbamate
Molecular weight	787.962
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	5.8
Synonyms	BDBM50287262 {3-[3-(3-Piperidin-1-ylmethyl-phenoxy)-propylcarbamoyl]-propyl}-carbamic acid 2-[(R)-2-oxo-5-phenyl-3-(3-m-tolyl-ureido)-2,3-dihydro-benzo[e][1,4]diazepin-1-yl]-ethyl ester
Inchi Key	IJLVVMDQXVMEAV-WBCKFURZSA-N
Inchi ID	InChI=1S/C45H53N7O6/c1-33-14-10-18-36(30-33)48-44(55)50-42-43(54)52(39-21-7-6-20-38(39)41(49-42)35-16-4-2-5-17-35)27-29-58-45(56)47-23-12-22-40(53)46-24-13-28-57-37-19-11-15-34(31-37)32-51-25-8-3-9-26-51/h2,4-7,10-11,14-21,30-31,42H,3,8-9,12-13,22-29,32H2,1H3,(H,46,53)(H,47,56)(H2,48,50,55)/t42-/m0/s1
PubChem CID	44281005
ChEMBL	CHEMBL33743
IUPHAR	N/A
BindingDB	50287262
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	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
134720	Cholecystokinin receptor type A	O08786	Cckar	Mus musculus (Mouse)	436
134719	Gastrin/cholecystokinin type B receptor	P32239	CCKBR	Homo sapiens (Human)	447
134721	Gastrin/cholecystokinin type B receptor	P56481	Cckbr	Mus musculus (Mouse)	453
134722	Histamine H2 receptor	P25102	Hrh2	Rattus norvegicus (Rat)	358

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