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-1A adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adra1a
Synonym	alpha1c alpha1A-adrenoceptor alpha1a Alpha-1C adrenergic receptor Alpha-1A adrenoreceptor Alpha-1A adrenoceptor alpha-1A adrenergic receptor ADRA1C alpha 1C-adrenergic receptor alpha 1A-adrenoreceptor alpha 1A-adrenoceptor adrenergic receptor, alpha 1a adrenergic receptor alpha 1c adrenergic alpha 1c receptor ADRA1L1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	466
Amino acid sequence	MVLLSENASEGSNCTHPPAPVNISKAILLGVILGGLIIFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGVRALLCVWVLSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYVPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNVPAEGGGVSSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRRQSSKHALGYTLHPPSQALEGQHRDMVRIPVGSGETFYKISKTDGVCEWKFFSSMPQGSARITVPKDQSACTTARVRSKSFLQVCCCVGSSAPRPEENHQVPTIKIHTISLGENGEEV
UniProt	P43140
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	CHEMBL319
IUPHAR	22
DrugBank	N/A

Ligand

Name	Tacrine
Molecular formula	C13H14N2
IUPAC name	1,2,3,4-tetrahydroacridin-9-amine
Molecular weight	198.269
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	2.7
Synonyms	TC-134953 Tox21_110073_1 Tacrina [INN-Spanish] NCGC00015054-01 9-amino-1,2,3,4-tetrahydroacridine (THA) NCGC00015054-09 AB00053524_19 NCIOpen2_003667 AKOS000277493 Prestwick2_000329 BPBio1_000371 SPBio_001823 C01453 ST083243 Cognex DSSTox_CID_17272 1,2,3,4-tetrahydro-acridin-9-yl-amine GTPL6687 2aow KBio3_002518 5-Amino-6,7,8,9-tetrahydroacridine (European) Tetrahydroaminoacridine UNII-4VX7YNB537 NCGC00015054-04 9-THA NCGC00024908-01 AC1Q51C5 Oprea1_008681 BBL001044 Romotal BRD-K81473089-003-15-4 Spectrum3_001709 CCG-204132 Tacrin D08555 1,2,3,4-tetra -hydro-9-acridinamine DTXSID1037272 1,2,3,4-tetrahydroacridin-9-amine dihydrochloride KB-216200 4CH-007616 Lopac-A-3773 9-Acridinamine, 1,2,3,4-tetrahydro- Tacrinum Tocris-0965 Z56790573 9-Acridinamine,1,2,3,4-tetrahydro- NCGC00015054-07 AB00053524-17 NCGC00024908-05 Acridine, 9-aminotetrahydro- Prestwick0_000329 BDBM8961 SBI-0050025.P003 BSPBio_003298 Spectrum_000416 CHEMBL95 DB00382 1,2,3,4-Tetrahydro-9-acridineamine FT-0083001 1acj KBio2_003464 5,6,7,8-tetrahydroacridine-9-ylamine MCULE-3628803328 Tenakrin Tox21_302277 Tacrinal NCGC00015054-02 9-Amino-1,2,3,4-Tetrahydroacridine Hydrate Hydrochloride Hydrate NCGC00015054-10 AB0126098 NE25597 ANW-46208 Prestwick3_000329 BRD-K81473089-003-03-0 SPBio_002258 C13H14N2 ST24026722 Cognex (TN) DSSTox_GSID_37272 1,2,3,4-Tetrahydro-acridin-9-ylamine HMS2089F19 2aox KBioGR_001337 Tetrahydroaminocrin VZ20338 Tacrine (INN) 9-Acridinamine, 1,2,3,4-tetrahydro- (9CI) NCGC00015054-05 A18628 NCGC00024908-03 Acridine, 1,2,3,4-tetrahydro-9-amino- PDSP1_000330 BCP03564 Romotal (Salt/Mix) BRN 0147610 Spectrum4_000819 CHEBI:45980 Tacrina D0E6YQ 1,2,3,4-TETRAHYDRO-9-ACRIDINAMINE EINECS 206-291-2 1,2,3,4-Tetrahydroaminoacridine KBio1_000936 4VX7YNB537 Lopac0_000036 Tacrinum [INN-Latin] Tox21_110073 ZINC19014866 9-amino-1,2,3,4-tetrahydroacridine NCGC00015054-08 AB00053524_18 NCGC00255540-01 AE-641/00604043 Prestwick1_000329 BIDD:GT0090 SCHEMBL2828 C-110 SR-01000075593-13 cid_1935 DivK1c_000936 1,2,3,4-Tetrahydro-9-aminoacridine FT-0631953 1mx1 KBio2_006032 5-Amino-6,7,8,9-tetrahydroacridine MolPort-000-881-472 Tetrahydroaminacrine Tracine Tacrinal (TN) NCGC00015054-03 9-AMINOTETRAHYDROACRIDINE NCGC00015054-12 AC1L1CK0 NINDS_000936 BAS 00232275 R9947 BRD-K81473089-003-04-8 Spectrum2_001812 CAS-321-64-2 STK101308 CS 12602 DSSTox_RID_79318 1,2,3,4-tetrahydroacridin-9-amine IDI1_000936 321-64-2 KBioSS_000896 Tetrahydroaminocrine YLJREFDVOIBQDA-UHFFFAOYSA-N Tacrine [INN:BAN] 9-Acridinamine, 1,2,3,4-tetrahydro-(9CI) NCGC00015054-06 AB00053524 NCGC00024908-04 Acridine, 9-amino-1,2,3,4-tetrahydro- PDSP2_000328 BCP9000019 SBB003560 BSPBio_000337 Spectrum5_001402 DB-000650 1,2,3,4-TETRAHYDRO-9-ACRIDINAMINE (SEE ALSO 1684-40-8) EU-0010966 1684-40-8 (hydrochloride) KBio2_000896 5,6,7,8-tetrahydroacridin-9-amine LS-1191 [ Show all ]
Inchi Key	YLJREFDVOIBQDA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
PubChem CID	1935
ChEMBL	CHEMBL95
IUPHAR	6687
BindingDB	8961
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	2749.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	1113.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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