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GPCR

Name	5-hydroxytryptamine receptor 1A
Species	Homo sapiens (Human)
Gene	HTR1A
Synonym	5-HT-1A 5-HT1A serotonin receptor 1A 5-HT1A receptor 5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled Gpcr18 ADRB2RL1 ADRBRL1 G-21 [ Show all ]
Disease	Urinary incontinence Generalized anxiety disorder Generalized anxiety disorder; Social phobia Hypertension Hypoactive sexual desire disorder Major depressive disorder Major depressive disorder; Episode; Anxiety Migraine Mood disorder Pain Parkinson's disease Premature ejaculation Psychiatric disorder Psychotic disorders Schizoaffective disorder; Schizophrenia Severe mood disorders Unspecified Female sexual dysfunction Eating disorder Schizophrenia Alzheimer disease Alzheimer disease; Peripheral sensory neuropathies; Lateral sclerosis Bulimia nervosa; Severe mood disorders Cervical dystonia; Spasm Cognitive disorders Anxiety disorder Depression Coronary artery disease [ Show all ]
Length	422
Amino acid sequence	MDVLSPGQGNNTTSPPAPFETGGNTTGISDVTVSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVKKVEKTGADTRHGASPAPQPKKSVNGESGSRNWRLGVESKAGGALCANGAVRQGDDGAALEVIEVHRVGNSKEHLPLPSEAGPTPCAPASFERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPTLLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRQ
UniProt	P08908
Protein Data Bank	N/A
GPCR-HGmod model	P08908
3D structure model	This predicted structure model is from GPCR-EXP P08908.
BioLiP	N/A
Therapeutic Target Database	T78709
ChEMBL	CHEMBL214
IUPHAR	1
DrugBank	BE0000291

Ligand

Name	8-OH-Dpat
Molecular formula	C16H25NO
IUPAC name	7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
Molecular weight	247.382
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	4.1
Synonyms	AC1Q7AL7 BRD-A48015106-004-03-0 D0O3GF LS-94994 NCGC00024986-02 S8447 (+/-)-8-Hydroxy-DPAT hydrobromide 8-OH-DPAT,(-) BCP25681 GTPL7 NCGC00015493-04 Ro-31-8220 in solution [3H]-8-OH-DPAT 1-Naphthalenol,7-(dipropylamino)-5,6,7,8-tetrahydro- 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol AC1L1AZN BPBio1_001354 CS-0043224 L000086 NCGC00024635-02 S(-)-8-HYDROXY-DPAT HYDROBROMIDE PARTIAL 5-HT1A SECROT (+-)-8-OH-DPAT 142272-99-9 8-Hydroxy-DPAT AKOS030627213 CCG-204665 dl-8-Hydroxy-2-(dipropylamino)tetralin MFCD00153811 PDSP1_000777 SCHEMBL496783 5,6,7,8-tetrahydro-7-(dipropylamino)-1-naphthalenol 8-OH-DPAT (8-Hydroxy-DPAT) 80300-08-9 BDBM21393 CHEMBL56 HY-112061 NCGC00015493-05 RT-015429 [3H]8-OH-DPAT 105558-30-3 78950-78-4 AC1Q2XPY BRD-A48015106-001-01-0 CTK5E6257 Lopac0_000576 NCGC00024635-03 S(-)-8-OH-DPAT HBr (+/-)-8-HYDROXY-2-DIPROPYL-AMINOTETRALIN 8-hydroxy-n,n-dipropylaminotetralin 8-OH-DPAT,(+) ASXGJMSKWNBENU-UHFFFAOYSA-N CHEBI:73364 GTPL31 MolPort-044-830-676 PDSP2_000765 SR-01000075571-7 1-Naphthalenol, 7-(dipropylamino)-5,6,7,8-tetrahydro- 8OH-DPAT Biomol-NT_000095 cid_1220 J-007140 NCGC00015493-06 S(-)-8-Hydroxy-DPAT hydrobromide (+)-8-Hydroxy-2-(dipropylamino)tetralin 122341-76-8 8-HYDROXY-2-(DI-n-PROPYLAMINO)TETRALIN [ Show all ]
Inchi Key	ASXGJMSKWNBENU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
PubChem CID	1220
ChEMBL	CHEMBL56
IUPHAR	31, 7
BindingDB	21393
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
%max	100.0 -	PMID18817363	ChEMBL
EC50	2.6 nM	PMID15887953	ChEMBL
EC50	5.82 nM	PMID11101361	BindingDB,ChEMBL
EC50	8.0 nM	PMID24050112	ChEMBL
EC50	10.9 nM	PMID15887953	BindingDB,ChEMBL
EC50	12.0 nM	PMID26081758	BindingDB
EC50	12.02 nM	PMID26081758	ChEMBL
EC50	15.0 nM	PMID23279866	BindingDB,ChEMBL
EC50	26.0 nM	PMID18834188	BindingDB,ChEMBL
EC50	28.18 nM	PMID17300168	ChEMBL
EC50	32.36 nM	PMID17803293	ChEMBL
EC50	51.0 nM	PMID26081758	BindingDB
EC50	51.29 nM	PMID26081758	ChEMBL
EC50	76.0 nM	PMID11448222	ChEMBL
Effect	100.0 %	PMID11448222	ChEMBL
Emax	26.0 %	PMID20605276	ChEMBL
Emax	35.9 %	PMID17803293	ChEMBL
Emax	44.5 %	PMID26081758	ChEMBL
Emax	82.0 %	PMID17300168	ChEMBL
Emax	84.8 %	PMID26081758	ChEMBL
Emax	100.0 %	PMID20185311, PMID22145629, PMID27689727, PMID23252794, PMID24900506, PMID11728188, PMID24900763, PMID15887953, PMID18834188	ChEMBL
IC50	0.33 nM	PMID23466604	ChEMBL
IC50	0.51 nM	PMID23582449	ChEMBL
IC50	0.53 nM	PMID26988801, PMID27876250	ChEMBL
IC50	0.59 nM	PMID18588282	ChEMBL
IC50	1.1 nM	PMID18983139	ChEMBL
IC50	5.3 nM	PMID26988801, PMID27876250	BindingDB
IC50	6.0 nM	PMID24262884	ChEMBL
Intrinsic activity	0.9 -	PMID18433113	ChEMBL
Kd	0.088 -	PMID11101361	ChEMBL
Kd	0.398 - 1000.0 nM	PMID10431754, PMID9550290, PMID15628665, PMID11101361	IUPHAR
Ki	0.06 nM	PMID7984267	PDSP,BindingDB
Ki	0.17 nM	PMID21726069	BindingDB,ChEMBL
Ki	0.21 nM	PMID23466604	ChEMBL
Ki	0.36 nM	PMID11132243	PDSP
Ki	0.398 - 3.98 nM	PMID1386736, PMID9760039, PMID9550290, PMID15628665, PMID9495870, PMID10611634, PMID12527336, PMID9067310	IUPHAR
Ki	0.4 nM	PMID25557493, Bioorg. Med. Chem. Lett., (1997) 7:21:2759, PMID24805037	ChEMBL
Ki	0.4 nM	, PMID25557493, PMID24805037	BindingDB
Ki	0.47 nM	PMID9067310	PDSP,BindingDB
Ki	0.5 nM	PMID8340922	BindingDB,ChEMBL
Ki	0.58 nM	PMID9067310	PDSP,BindingDB
Ki	0.64 nM	PMID9067310	PDSP,BindingDB
Ki	0.66 nM	PMID18983139	ChEMBL
Ki	0.7 nM	Hoyer et al., PMID1986	PDSP
Ki	0.71 nM	PMID25695425	ChEMBL
Ki	0.71 nM	PMID25695425	BindingDB
Ki	0.7943 nM	PMID18433113	ChEMBL
Ki	0.794328 nM	PMID18433113	BindingDB
Ki	0.81 nM	PMID7984267	PDSP,BindingDB
Ki	0.83 nM	Hoyer et al., PMID1986, PMID11277522	PDSP,ChEMBL
Ki	0.83 nM	PMID11277522	BindingDB
Ki	1.0 nM	PMID2078271	BindingDB
Ki	1.2 nM	PMID20041669	BindingDB,ChEMBL
Ki	1.25 nM	PMID7984267	PDSP,BindingDB
Ki	1.259 nM	PMID21469694	ChEMBL
Ki	1.49 nM	PMID9871775	ChEMBL
Ki	1.5 nM	PMID9871775	BindingDB
Ki	1.6 nM	PMID8097537, PMID8459396, PMID8097538	BindingDB,ChEMBL
Ki	1.9 nM	PMID7984267, PMID9083484	PDSP,BindingDB,ChEMBL
Ki	2.1 nM	PMID17649988, PMID18800769	PDSP
Ki	2.1 nM	PMID17649988, PMID18800769	BindingDB,ChEMBL
Ki	2.65 nM	PMID28063784, PMID25759032	ChEMBL
Ki	2.7 nM	PMID28063784, PMID25759032	BindingDB
Ki	3.0 nM	PMID18834188, PMID15887953	PDSP,BindingDB,ChEMBL
Ki	3.16 nM	PMID10611634	PDSP,BindingDB
Ki	3.38 nM	PMID7984267	PDSP,BindingDB
Ki	3.388 nM	PMID18817363, PMID24900763, PMID23252794, PMID24900506	ChEMBL
Ki	3.39 nM	PMID18817363	BindingDB
Ki	3.4 nM	PMID23252794, PMID24900506	BindingDB
Ki	3.44 nM	PMID11728188, PMID11448222	BindingDB,ChEMBL
Ki	3.467 nM	PMID10514291	ChEMBL
Ki	3.715 nM	PMID22145629, PMID20185311	ChEMBL
Ki	3.72 nM	PMID22145629, PMID20185311	BindingDB
Ki	3.76 nM	PMID8461029	PDSP,BindingDB
Ki	3.8 nM	PMID7984267, PMID15055991	PDSP,BindingDB,ChEMBL
Ki	4.57 nM	PMID7984267	PDSP,BindingDB
Ki	5.1 nM	PMID18269229	BindingDB,ChEMBL
Ki	6.9 nM	PMID9686407	PDSP,BindingDB
Ki	26.91 nM	PMID7984267	PDSP,BindingDB
Ki	27.1 nM	PMID8461029	PDSP,BindingDB
Ki	78.0 nM	PMID8155646	PDSP,BindingDB
Ki	3300.0 nM	PMID19053888	PDSP,BindingDB,ChEMBL
Ki	3981.0 nM	PMID18433113	BindingDB
Ki	3981.07 nM	PMID18433113	ChEMBL
Log Ki	8.47 nM	PMID10425105	ChEMBL
Max	100.0 %	PMID10514291, PMID10425105	ChEMBL
Others	134.0 %	PMID8941384	ChEMBL
pD2	7.6 -	PMID18817363, PMID10514291, PMID23252794, PMID11728188, PMID10425105, PMID24900763, PMID24900506	ChEMBL
pD2	7.83 -	PMID22145629, PMID20185311	ChEMBL
pD2	8.49 -	PMID27689727	ChEMBL
pD2	9.27 -	PMID20605276	ChEMBL

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