Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	Alpha-1B adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA1B
Synonym	alpha1B-adrenoceptor alpha1B-adrenergic receptor Alpha-1B adrenoreceptor Alpha-1B adrenoceptor alpha 1B-adrenoreceptor alpha 1B-adrenoceptor adrenergic receptor adrenergic alpha 1B receptor [ Show all ]
Disease	Psychiatric disorder Hypertension Exogenous obesity Attention deficit hyperactivity disorder
Length	520
Amino acid sequence	MNPDLDTGHNTSAPAHWGELKNANFTGPNQTSSNSTLPQLDITRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAMADLLLSFTVLPFSAALEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGVMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVGMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFVRILGCQCRGRGRRRRRRRRRLGGCAYTYRPWTRGGSLERSQSRKDSLDDSGSCLSGSQRTLPSASPSPGYLGRGAPPPVELCAFPEWKAPGALLSLPAPEPPGRRGRHDSGPLFTFKLLTEPESPGTDGGASNGGCEAAADVANGQPGFKSNMPLAPGQF
UniProt	P35368
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	T29500
ChEMBL	CHEMBL232
IUPHAR	23
DrugBank	BE0000575

Ligand

Name	memantine
Molecular formula	C12H21N
IUPAC name	3,5-dimethyladamantan-1-amine
Molecular weight	179.307
Hydrogen bond acceptor	1
Hydrogen bond donor	1
XlogP	3.3
Synonyms	3,5-dimethyladamantan-1-amine Memantine [INN:BAN] AB00053600_14 NCGC00015705-07 alzantin Prestwick2_000978 Biomol-NT_000209 SPBio_001456 CBMicro_020348 STK520682 D08174 W8O17SJF3T DSSTox_CID_25174 FT-0649142 KBio2_006223 1-amino-3,5-dimethyladamantan Memantin 3,5-dimethyltricyclo[3.3.1.1~3,7~]decan-1-amine Memantinum [INN-Latin] AC1L1HB7 NCGC00024782-03 BB 0216388 SBB002574 BR-33967 Spectrum3_000923 CHEMBL807 Tox21_110199_1 DB01043 DTXSID5045174 HSDB 7327 KBioSS_001087 3,5-Dimethyl-1-adamantanamine 3,5-Dimethyl-1-aminoadamantane hydrochlo Memantine (INN) AB00053600 NCGC00015705-04 AKOS016340748 Prestwick0_000978 BBV-39899297 SCHEMBL13213676 C13736 Spectrum_000607 D-145 Tricyclo[3.3.1.13,7]decan-1-amine, 3,5-dimethyl- DRG 0267 Exiba (TN) KBio2_001087 1-amino-3,5-dimethyl adamantane LS-157051 Memantina 3,5-dimethyladamantanylamine Memantine [INN] AB00053600_15 NCGC00015705-09 ANW-56451 Prestwick3_000978 BPBio1_001117 SPBio_002926 CCG-204092 TC-145196 D145 ZERO/006024 DSSTox_GSID_45174 GTPL4253 (3,5-Dimethyl-1-adamantyl)amine KBio3_001926 1-Amino-3,5-dimethyladamantane Memantine (extended release) 41100-52-1 (Hydrochloride) MolPort-002-041-858 AKOS000113995 NINDS_000068 BB0216388 SBI-0020417.P004 BSPBio_001015 Spectrum4_001022 CTK6B3298 Tricyclo(3.3.1.1(3,7))decan-1-amine, 3,5-dimethyl- DivK1c_000068 Ebixa IDI1_000068 1,3-Dimethyl-5-adamantanamine KS-000024QT 3,5-Dimethyl-1-adamantylamine 3,5-Dimethyl-adamantan-1-ylamine Memantine ER AB00053600-13 NCGC00015705-05 ALBB-013872 Prestwick1_000978 BDBM50062599 SCHEMBL2688 CAS-19982-08-2 ST057652 D01JEU UNII-W8O17SJF3T DS-3152 FCH1198345 KBio2_003655 1-amino-3,5-dimethyl-adamantane MCULE-3726352671 Memantina [INN-Spanish] 3,5-Dimethyltricyclo(3.3.1.1(3,7))decan-1-amine Memantinum AB0212255 NCGC00024782-02 AZ0001-0553 S-1686 BPBio1_001270 Spectrum2_001408 CHEBI:64312 Tox21_110199 ZX-AN012621 DSSTox_RID_80723 HMS500D10 (3,5-Dimethyl-1-adamantyl)amine hydrochloride KBioGR_001543 19982-08-2 3,5-Dimethyl-1-aminoadamantane Memantine (extended release), Forest 51052-62-1 NCGC00015705-03 AKOS015953276 Oprea1_480562 BBL000737 SC-45525 BUGYDGFZZOZRHP-UHFFFAOYSA-N Spectrum5_001355 D 145 Tricyclo(3.3.1.13,7)decan-1-amine, 3,5-dimethyl- DMAA [Antiparkinson Agent] EU-0053634 KBio1_000068 1,3-Dimethyl-5-aminoadamantane Lopac0_000861 [ Show all ]
Inchi Key	BUGYDGFZZOZRHP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3
PubChem CID	4054
ChEMBL	N/A
IUPHAR	N/A
BindingDB	N/A
DrugBank	DB01043
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<10000.0 nM	http://pdsp.med.unc.edu/pdsp.php	PDSP

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417