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

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.
Go back to previous page.

Ligand

Name	FASDKYOPVNHBLU-UHFFFAOYSA-N
Molecular formula	C10H17N3S
IUPAC name	6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
Molecular weight	211.327
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	1.9
Synonyms	(+/-)-2-amino-6-propylamino-4,5,6,7-tetrahydrobenzothiazole 2-amino-4,5,6,7-tetrahydro-6-(propylamino)benzothiazole AN-5403 HMS3393A21 N6-Propyl-4,5,6,7-tetrahydro-benzothiazole-2,6-diamine (Pramipexole, PPX) (S)-2-Amnio-4,5,6,7-tetrahydro-6-(propylamino)benzothiazole A801038 Benzene,4-chloro-1-(trifluoromethoxy)-2-(trifluoromethyl)- L000492 N~6~-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine dihydrochloride (+/-) 2-amino-6-propylamino-4,5,6,7-tetrahydrobenzothiazole 2,6-benzothiazolediamine, 4,5,6,7-tetrahydro-n6-propyl- AKOS017258887 N'-propyl-4,5,6,7-tetrahydrobenzothiazole-2,6-diamine TRA0068140 (+/-)-2-amino-6-propylamino-4,5,6,7-tetrahydrobenzthiazole BDBM50017550 HMS3657G15 N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine AC1L1J65 MCULE-4233228077 SCHEMBL195775 (+/-)-2-amino-6-(N-propylamino)-4,5,6,7-tetrahydrobenzothiazole 2,6-benzothiazolediamine, 4,5,6,7-tetrahydro-N~6~-propyl-, dihydrochloride ALBB-027263 HMS3370D06 N6-Propyl-4,5,6,7-tetrahydro-benzothiazole-2,6-diamine VZ30192 (+/-)2-amino-6-propylamino-4,5,6,7-tetrahydrobenzothiazole 6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine BEN629 I09-0213 N6-Propyl-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine 104617-86-9 AC1Q4W5N CHEMBL76399 MolPort-006-395-737 T5932 [ Show all ]
Inchi Key	FASDKYOPVNHBLU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)
PubChem CID	4885
ChEMBL	CHEMBL76399
IUPHAR	N/A
BindingDB	50017550
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
73708	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
73710	5-hydroxytryptamine receptor 1B	P28222	HTR1B	Homo sapiens (Human)	390
73723	5-hydroxytryptamine receptor 1D	P28221	HTR1D	Homo sapiens (Human)	377
73736	5-hydroxytryptamine receptor 1E	P28566	HTR1E	Homo sapiens (Human)	365
73738	5-hydroxytryptamine receptor 2A	P28223	HTR2A	Homo sapiens (Human)	471
73734	5-hydroxytryptamine receptor 2B	P41595	HTR2B	Homo sapiens (Human)	481
73727	5-hydroxytryptamine receptor 2C	P28335	HTR2C	Homo sapiens (Human)	458
73716	5-hydroxytryptamine receptor 5A	P47898	HTR5A	Homo sapiens (Human)	357
73704	5-hydroxytryptamine receptor 6	P50406	HTR6	Homo sapiens (Human)	440
73729	5-hydroxytryptamine receptor 7	P34969	HTR7	Homo sapiens (Human)	479
73726	Alpha-1A adrenergic receptor	P35348	ADRA1A	Homo sapiens (Human)	466
73737	Alpha-1B adrenergic receptor	P35368	ADRA1B	Homo sapiens (Human)	520
73739	Alpha-1D adrenergic receptor	P25100	ADRA1D	Homo sapiens (Human)	572
73714	Alpha-2A adrenergic receptor	P22909	Adra2a	Rattus norvegicus (Rat)	450
73735	Alpha-2A adrenergic receptor	P08913	ADRA2A	Homo sapiens (Human)	450
73711	Alpha-2B adrenergic receptor	P18089	ADRA2B	Homo sapiens (Human)	450
73722	Alpha-2C adrenergic receptor	P18825	ADRA2C	Homo sapiens (Human)	462
73730	Beta-1 adrenergic receptor	P08588	ADRB1	Homo sapiens (Human)	477
73706	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413
73721	D(1A) dopamine receptor	P21728	DRD1	Homo sapiens (Human)	446

zhanglab

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