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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	Allopregnanolone
Molecular formula	C21H34O2
IUPAC name	1-[(3R,5S,10S,13S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Molecular weight	318.501
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	4.9
Synonyms	1-((3R,5S)-3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-ethanone BDBM50055912 LP01004 SR-01000076090 1-((3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone CHEMBL38856 NCGC00094298-03 Tox21_501004 5alpha-Pregnan-3alpha-ol-20-one LMST02030130 P 8887 1-((3R,5S,10S,13S,17S)-3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-ethanone CCG-205084 NCGC00094298-01 SR-01000076090-1 1-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-ethanone EU-0101004 NCGC00094298-04 US8575375, 10 (3alpha,5alpha)-3-hydroxypregnan-20-one) Lopac0_001004 SCHEMBL12029043 1-((3R,5S,10S,14S)-3-Hydroxy-10-methyl-13-(S)-methyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-ethanone NCGC00094298-02 SR-01000076090-5 3alpha-hydroxy-5alpha-pregnane-20-one HMS3263I09 NCGC00261689-01 [ Show all ]
Inchi Key	AURFZBICLPNKBZ-LOPWJTSLSA-N
Inchi ID	InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16?,17+,18?,19?,20-,21+/m0/s1
PubChem CID	9883500
ChEMBL	CHEMBL38856
IUPHAR	N/A
BindingDB	N/A
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
464697	Gamma-aminobutyric acid type B receptor subunit 1	Q9Z0U4	Gabbr1	Rattus norvegicus (Rat)	991

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