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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.
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Ligand

Name	TAURODEOXYCHOLIC ACID
Molecular formula	C26H45NO6S
IUPAC name	2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
Molecular weight	499.707
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	3.6
Synonyms	Deoxycholyltaurine SODIUM TAURODEOXYCHOLATE Taurodesoxycholate 6SB BRD-K33572481-001-01-0 LMST05040013 TAURODEOXYCHLOIC ACID Tudcabil 2-[[(3\|A,5\|A,12\|A)-3,12-Dihydroxy-24-oxocholan-24-yl]amino]ethanesulfonic Acid CHEMBL412272 N-(3\|A,12\|A-Dihydroxy-5\|A-cholan-24-oyl)taurine ZINC4282168 Deoxytaurocholate Sodium taurodeoxylate Taurodesoxycholic acid 2-[(3alpha,12alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonic acid AC1MBZN0 CHEBI:9410 N-(3a,12a-dihydroxy-5b-cholan-24-oyl)-Taurine Taurodeoxychloic Acid Also See T009005 UNII-20668G0RPI 2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid Deoxy Cholate SCHEMBL27304 Taurodeoxycholic acid sodium salt 516-50-7 Deoxytaurocholic acid Spectrum5_002017 Taurodesoxycholsaure 2-[4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]ethanesulfonic acid BDBM50375592 N-(3alpha,12alpha-dihydroxy-5beta-cholan-24-oyl)-taurine Taurodeoxycholate W-204225 20668G0RPI [ Show all ]
Inchi Key	AWDRATDZQPNJFN-VAYUFCLWSA-N
Inchi ID	InChI=1S/C26H45NO6S/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1
PubChem CID	2733768
ChEMBL	CHEMBL412272
IUPHAR	N/A
BindingDB	50375592
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
15911	G-protein coupled bile acid receptor 1	Q8TDU6	GPBAR1	Homo sapiens (Human)	330

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