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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Alpha-1B adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adra1b
Synonym	adrenergic receptor alpha 1B-adrenoceptor alpha 1B-adrenoreceptor adrenergic alpha 1B receptor Alpha-1B adrenoceptor Alpha-1B adrenoreceptor alpha1B-adrenergic receptor alpha1B-adrenoceptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	515
Amino acid sequence	MNPDLDTGHNTSAPAHWGELKDDNFTGPNQTSSNSTLPQLDVTRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAIADLLLSFTVLPFSATLEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGVMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVGMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFMRILGCQCRGGRRRRRRRRLGACAYTYRPWTRGGSLERSQSRKDSLDDSGSCMSGTQRTLPSASPSPGYLGRGTQPPVELCAFPEWKPGALLSLPEPPGRRGRLDSGPLFTFKLLGDPESPGTEGDTSNGGCDTTTDLANGQPGFKSNMPLAPGHF
UniProt	P15823
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL315
IUPHAR	23
DrugBank	N/A

Ligand

Name	lipoic acid
Molecular formula	C8H14O2S2
IUPAC name	5-[(3R)-dithiolan-3-yl]pentanoic acid
Molecular weight	206.318
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	1.7
Synonyms	62-46-4 SCHEMBL7924 ACT02368 Thioctic acid, d form ANW-43728 TR-003330 C16241 D-Thioctic acid ( inverted question mark)-1,2-Dithiolane-3-pentanoic acid GK0418 (R)-( )-\|A-Lipoic acid J-004243 (R)-(+)-alpha-Lipoic acid, analytical standard LMFA01130001 (R)-alpha-Lipoic acid NCGC00094396-01 1,2-Dithiolane-3-pentanoic acid; 5-(1,2-Dithiolan-3-yl)valeric acid R-(+)-alpha-Lipoic acid R-alpha-Lipoic acid AB09328 SR-01000076163-1 AK-68233 Tiobec AX8017749 VLL71EBS9Z DB00166 (+)-a-Lipoic acid Heparlipon (R)-(+)-1,2-Dithiolane-3-pentanoic acid, 97% KSC489O5H (R)-1,2-Dithiolane-3-pentanoic acid LP01129 (S)-1,2-Dithiolane-3-pentanoic acid NCGC00094396-04 5-[(3R)-1,2-dithiolan-3-yl]pentanoic acid R-Lipoic acid AC-8133 Thioctanoic acid alpha-Liponsaure TL8004155 BR-68233 CS-5076 EU-0101129 (3R)-1,2-Dithiolane-3-pentanoic Acid I04-0855 (r)-(+)-alpha-lipoic acid Lipoec (R)-6,8-DITHIOOCTANOIC ACID MFCD01631142 1,2-Dithiolane-3-pentanoic acid, (3R)- Q-201824 A804416 SLA AGBQKNBQESQNJD-SSDOTTSWSA-N Thioderm API0004024 UNII-73Y7P0K73Y component AGBQKNBQESQNJD-SSDOTTSWSA-N CCG-205204 D02EVF ( inverted question mark)-alpha-Lipoic Acid GTPL4822 (R)-(+)--Lipoic acid KB-02702 (R)-(+)-Lipoate Lopac0_001129 (R)-lipoic acid NCGC00094396-02 1,2-Dithiolane-3R-pentanoic acid R-(+)-Lipoic acid R-LA AB1009443 ST24026437 AKOS015892879 Tiobec Retard BDBM50106731 ZINC1544807 CHEMBL134342 DTXSID20152651 (+)-alpha-Lipoic acid HMS3263B19 (R)-(+)-1,2-Dithiolane-3-pentanoicacid L0207 (R)-1,2-Dithiolane-3-valeric Acid M-2153 (y)-alpha-Lipoic Acid NCGC00094396-05 5-[(3R)-3-dithiolanyl]pentanoic acid 57828-26-9 RTR-003330 AC1L1LTX Thioctic acid d-form AN-8308 Tox21_501129 Byodinoral 300 CTK3I9753 FT-0670812 (?)-alpha-Lipoic Acid INV-144 (R)-(+)-alpha-Lipoic acid, >=98.0% (HPLC) (R)-6,8-thioctic acid MolPort-002-520-478 1,2-Dithiolane-3-pentanoic acid, (R)- R-(+)-1,2-Dithiolane-3-pentanoic acid AB0008544 SR-01000076163 AJ-26871 Thiogamma AS-11009 UNII-VLL71EBS9Z CHEBI:30314 D05YSU (+)-1,2-Dithiolane-3-valeric Acid H452 (R)-(+)-1,2-Dithiolane-3-pentanoic acid KS-00000UQB (R)-(+)-lipoic acid Losartan/thioctic acid (R)-Thioctic Acid NCGC00094396-03 1200-22-2 R-(+)-Thioctic acid R-Lipoate AC-11124 T 5625 alpha-(+)-Lipoic acid Tioctic Acid Berlition CL-007 EBD2198043 (+/-)-alpha-Lipoic acid HY-18733 (R)-(+)-a-Lipoic acid lipoate (R)-5-(1,2-Dithiolan-3-yl)pentanoic acid MCULE-3939318333 .alpha.-Lipoic acid NCGC00261814-01 5-[(3R)-dithiolan-3-yl]pentanoic acid [ Show all ]
Inchi Key	AGBQKNBQESQNJD-SSDOTTSWSA-N
Inchi ID	InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m1/s1
PubChem CID	6112
ChEMBL	CHEMBL134342
IUPHAR	N/A
BindingDB	50106731
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Kd	<10000.0 nM	PMID15633998	BindingDB,ChEMBL

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