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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	CHEMBL574175
Molecular formula	C29H29ClN2O3
IUPAC name	(4R,4aS,7aR,12bR)-4a-[3-(4-chlorophenyl)prop-2-ynylamino]-3-(cyclopropylmethyl)-9-hydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Molecular weight	489.012
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.7
Synonyms	BDBM50299727 N-Cyclopropylmethyl-14beta-[3''-(4''''-chlorophenyl)-propargylamino]-7,8-dihydronormorphinone
Inchi Key	AJQMWPWKTSOHEA-ZLPBPMGLSA-N
Inchi ID	InChI=1S/C29H29ClN2O3/c30-21-8-5-18(6-9-21)2-1-14-31-29-12-11-23(34)27-28(29)13-15-32(17-19-3-4-19)24(29)16-20-7-10-22(33)26(35-27)25(20)28/h5-10,19,24,27,31,33H,3-4,11-17H2/t24-,27+,28+,29-/m1/s1
PubChem CID	44541248
ChEMBL	CHEMBL574175
IUPHAR	N/A
BindingDB	50299727
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
7133	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
7132	Kappa-type opioid receptor	P41145	OPRK1	Homo sapiens (Human)	380
7134	Mu-type opioid receptor	P35372	OPRM1	Homo sapiens (Human)	400

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