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GLASS

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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.
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Ligand

Name	cholic acid
Molecular formula	C24H40O5
IUPAC name	(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Molecular weight	408.579
Hydrogen bond acceptor	5
Hydrogen bond donor	4
XlogP	3.6
Synonyms	3alpha,7alpha,12alpha-Trihydroxy-5 beta-cholan-24-ic acid Colalin (VAN) 4-((1S,2S,7S,11S,16S,5R,9R,10R,14R,15R)-5,9,16-trihydroxy-2,15-dimethyltetracy clo[8.7.0.0<2,7>.0<11,15>]heptadec-14-yl)pentanoic acid EINECS 201-337-8 5a-cholic acid (3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxycholan-24-oic acid 889875-66-5 134353-30-3 BHQCQFFYRZLCQQ-OELDTZBJSA-N 3,7,12-trihydroxy-(3alpha,5alpha,7alpha,12alpha)-cholan-24-oic acid CCRIS 1626 3-alpha,7-alpha,12-alpha-Trihydroxy-5-beta-cholan-24-oic acid Cholan-24-oic acid, 3,7,12-trihydroxy-, (3-alpha,5-beta,7-alpha,12-alpha)- 3a,7a,12a-trihydroxy-5a-cholan-24-oic acid Cholbam (TN) 3a,7a,12a-Trihydroxy-b-cholanate Cholic acid, European Pharmacopoeia (EP) Reference Standard N1680 Spectrum5_002005 ZINC6858022 Cholic acid, Vetec(TM) reagent grade, 98% 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid D10699 5.beta.-Cholan-24-oic acid,7.alpha.,12.alpha.-trihydroxy- HMS2268L18 5b-Cholic acid 7060-EP2315303A1 (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid AC1L5ACI 17b-[1-Methyl-3-carboxypropyl]etiocholane-3a,7a,12a-triol bmse000650 3,7,12-Trihydroxycholan-24-oic acid, (3alpha,5beta,7alpha,12alpha)- 3.alpha.,12.alpha.-Trihydroxy-5.beta.-cholanic acid Cholan-24-oic acid, 3,7,12-trihydroxy-, (3alpha,5beta,7alpha,12alpha)- 3a,7a,12a-Trihydroxy-5b-cholan-24-oic acid Cholic acid (USAN) 3a,7a,12a-Trihydroxy-beta-cholanic acid MCULE-7032345049 OrphacolReg ST024722 3alpha, 7alpha, 12alpha-trihydroxy-5beta-cholanic acid Cholsaeure [German] 3alpha,7alpha,12alpha-Trihydroxycholanic acid DTXSID6040660 5a-Allocholic acid K446 5beta-Cholanic acid-3alpha,7alpha,12alpha-triol (3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholan-24-oic acid 81-25-4 10321-98-9 BBL029799 C00695 3-.alpha.,7-.alpha.,12-.alpha.-Trihydroxy-5-.beta.-cholan-24-oic acid Cholalic acid 3a,7a,12a-trihydroxy-(5a)-cholan-24-oic acid cholate 3a,7a,12a-Trihydroxy-5b-cholanoate Cholic acid, 5beta- MLS002207051 SCHEMBL27461 UNII-G1JO7801AE 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oic acid CS-6608 4-10-00-02072 (Beilstein Handbook Reference) G1JO7801AE 5b-Cholanic acid-3a,7a,12a-triol 7060-EP2289879A1 (4R)-4-((3R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid 904791-60-2 17-beta-(1-Methyl-3-carboxypropyl)etiocholane-3alpha,7alpha,12alpha-triol BIC0608 3,7,12-Trihydroxy-cholan-24-oic acid (3-alpha,5-beta,7-alpha,12-alpha) CHD 3-alpha,7-alpha,12-alpha-Trihydroxycholansaeure Cholan-24-oic acid, 3,7,12-trihydroxy-, (3-alpha,5-beta,7-alpha,12-alpha)- (9CI) 3a,7a,12a-Trihydroxy-5A-cholanic acid 3a,7a,12a-Trihydroxy-b-cholanic acid Cholic acid, from ox or sheep bile, >=98% NSC-6135 SR-01000765698 cholicacid 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanoic acid 5.beta.-Cholic acid HSDB 982 5beta-Cholan-24-oic acid, 3alpha,7alpha,12alpha-trihydroxy- 728917-96-2 (R)-4-((3R,5S,7R,8R,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid AK-77688 17beta-[1-Methyl-3-carboxypropyl]etiocholane-3alpha,7alpha,12alpha-triol BP-30084 3,7,12-Trihydroxycholanic acid CHEMBL205596 3.alpha.,7.alpha.,12.alpha.-Trihydroxy-5.beta.-cholanic acid Cholan-24-oic acid, 3,7,12-trihydroxy-, (3alpha,5beta,7alpha,12alpha)- (9CI) 3a,7a,12a-Trihydroxy-5b-cholanate Cholic acid [USAN] 3a,7a,12a-Trihydroxycholanate MFCD00003672 PubChem16772 ST24026431 3alpha, 7alpha, 12alpha-trihydroxy-5beta-cholanoic acid Colalin 3\|A,7\|A,12\|A-Trihydroxy-5\|A-cholanic acid; Cholanic acid EC 201-337-8 5a-Cholate kolbam 5beta-Cholanic acid-3alpha,7alpha,12alpha-triol 5beta-Cholic acid (3alpha,5beta,7alpha,8x,12alpha)-3,7,12-trihydroxycholan-24-oic acid 882740-42-3 116-68-7 BDBM21680 3,7,12-trihydroxy-(3alpha,5alpha,7alpha,12alpha)-cholan-24-oate C24H40O5 3-.alpha.,7-.alpha.,12-.alpha.-Trihydroxycholansaeure Cholalin 3a,7a,12a-trihydroxy-5a-cholan-24-oate Cholbam 3a,7a,12a-Trihydroxy-5b-cholanoic acid Cholic acid, British Pharmacopoeia (BP) Reference Standard MolPort-003-892-613 SMR000112165 UNII-JIY1ILR284 component BHQCQFFYRZLCQQ-OELDTZBJSA-N Cholic acid, United States Pharmacopeia (USP) Reference Standard 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanate D0OR2L 5.beta.-Cholan-24-oic acid, 3.alpha.,7.alpha.,12.alpha.-trihydroxy- GTPL609 5b-Cholate 7060-EP2289883A1 (4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid AB1003389 17.beta.-(1-Methyl-3-carboxypropyl)etiocholane-3.alpha.,7.alpha.,12.alpha.-triol BIDD:PXR0196 3,7,12-Trihydroxy-cholan-24-oic acid, (3.alpha.,5.beta.,7.alpha.,12.alpha.)- CHEBI:16359 3-alpha,7-alpha,12-alpha-Trihydroxycholansaeure [German] Cholan-24-oic acid, 3,7,12-trihydroxy-, (3a,5b,7a,12a)- 3a,7a,12a-Trihydroxy-5b-cholan-24-oate Cholic acid (8CI) 3a,7a,12a-Trihydroxy-beta-cholanate LMST04010001 NSC6135 SR-01000765698-4 Cholsaeure 3alpha,7alpha,12alpha-Trihydroxy-beta-cholanic acid DB02659 5a-Allocholate HY-N0324 5beta-Cholanic acid, 3alpha,7alpha,12alpha-trihydroxy- (7CI) (3.alpha.,5.beta.,7.alpha.,12.alpha.)-3,7,12-Trihydroxycholan-24-oic acid sodium salt 732303-80-9 (R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid AKOS005622502 198976-EP2280282A1 BRN 2822009 3-&alpha,7-&alpha,12-&alpha-trihydroxy-5-&beta-cholanate Cholalate 3a,7a,12a-trihydroxy-(5a)-cholan-24-oate Cholan-24-oic acid,7,12-trihydroxy-, (3.alpha.,5.beta.,7.alpha.,12.alpha.)- 3a,7a,12a-Trihydroxy-5b-cholanic acid Cholic acid, 500 mug/mL in methanol, certified reference material 3a,7a,12a-Trihydroxycholanic acid MLS001066422 SC-46787 STK801993 [ Show all ]
Inchi Key	BHQCQFFYRZLCQQ-OELDTZBJSA-N
Inchi ID	InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
PubChem CID	221493
ChEMBL	CHEMBL205596
IUPHAR	609
BindingDB	21680
DrugBank	DB02659
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
23963	G-protein coupled bile acid receptor 1	Q8TDU6	GPBAR1	Homo sapiens (Human)	330
23964	G-protein coupled bile acid receptor 1	Q80SS6	Gpbar1	Mus musculus (Mouse)	329

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