Zhang Lab

University of Michigan

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 ●DMFold ●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	5-hydroxytryptamine receptor 5B
Species	Rattus norvegicus (Rat)
Gene	Htr5b
Synonym	MR22 HTR5B GPR134 G protein-coupled receptor 134 5-HT-5B 5Ht5b 5-hydroxytryptamine (serotonin) receptor 5B, pseudogene 5-ht5b receptor 5-HT5B Serotonin receptor 5B [ Show all ]
Disease	N/A for non-human GPCRs
Length	370
Amino acid sequence	MEVSNLSGATPGIAFPPGPESCSDSPSSGRSMGSTPGGLILSGREPPFSAFTVLVVTLLVLLIAATFLWNLLVLVTILRVRAFHRVPHNLVASTAVSDVLVAALVMPLSLVSELSAGRRWQLGRSLCHVWISFDVLCCTASIWNVAAIALDRYWTITRHLQYTLRTRRRASALMIAITWALSALIALAPLLFGWGEAYDARLQRCQVSQEPSYAVFSTCGAFYVPLAVVLFVYWKIYKAAKFRFGRRRRAVVPLPATTQAKEAPQESETVFTARCRATVAFQTSGDSWREQKEKRAAMMVGILIGVFVLCWIPFFLTELVSPLCACSLPPIWKSIFLWLGYSNSFFNPLIYTAFNKNYNNAFKSLFTKQR
UniProt	P35365
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	CHEMBL2619
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	Melatonin
Molecular formula	C13H16N2O2
IUPAC name	N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
Molecular weight	232.283
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	0.8
Synonyms	DB01065 EINECS 200-797-7 4-ACETAMIDO-4'-ISOTHIO-CYANATOSTILBENE-2,2'-DISULFONIC ACID Guna-dermo (Salt/Mix) AB00053279 HMS3370J20 AC1Q4F1X I10-0345 Acetamide, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-(9CI) KBio2_000665 AK110931 KS-000048J8 BIDD:ER0618 M 5250 CAS-73-31-4 Melatonex CM-539 Melatonin 1.0 mg/ml in Methanol PREVENTION 1 (MELATONIN) (PREVENTION 1) Melatonina (TN) RTC-063565 MLS001055382 Sleep Right N-acetyl-5-methoxy-tryptamine Melatonine Spectrum4_000066 Nature'S Harmony ST057260 NCGC00015680-08 Tox21_201527 NCGC00015680-16 [3H]-melatonin NCGC00090727-07 NINDS_000353 Oprea1_814234 Melatonin, British Pharmacopoeia (BP) Reference Standard DRLFMBDRBRZALE-UHFFFAOYSA-N 005M655 FT-0628191 5-Methoxy-N-acetyltryptamine HMS1921E04 AB0007332 HMS501B15 Acetamide, N-(2-(5-methoxy-1H-indol-3-yl)ethyl)- (9CI) IN1244 Acetamide, N-[2-(5-methoxyindol-3-yl)ethyl]-(6CI,8CI) KBio3_002226 ARONIS24462 L001261 BRD-K97530723-001-11-8 M1105 CHEBI:16796 D08170 PREVENTION 4 (MELATONIN) Melatonine; SBB003265 MT6 SPBio_001527 N-[2-(5-Methoxy-1H-indol-3-yl)ethyl)acetamide SR-01000075559 NCGC00015680-03 SW196607-4 NCGC00015680-11 UNII-JL5DK93RCL NCGC00090727-02 {N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-} Acetamide NCGC00256404-01 NSC-113928 Prestwick0_000458 DSSTox_RID_76585 GTPL224 HMS2233D23 AC1L1A9Q HY-B0075 Acetamide, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]- KB-178582 ACT03490 KM1545 BCP28154 LP00787 BSPBio_003006 Melapure ChemDiv2_003916 Melatonin (synth.) standard-grade D0M9SI Prestwick3_000458 Melatonin, United States Pharmacopeia (USP) Reference Standard Revital Melatonin ML1 SDCCGMLS-0065812.P001 N-(2-(5-Methoxyindol-3-yl)ethyl)acetamide Spectrum2_001344 N-[2-(5-methoxyindol-3-yl)ethyl]-Acetamide SR-01000075559-7 NCGC00015680-06 Tox21_110195 NCGC00015680-14 ZB001948 NCGC00090727-05 NCI60_004378 NSC56423 Disodium 4-acetamido-4'-isothiocyanato-stilben-2,2'-disulfonate EU-0100787 4CN-3100 HMS1380B22 AB00053279-10 HMS3654A22 ACE073 IDI1_000353 Acetamide, N-[2-(5-methoxyindol-3-yl)ethyl]- KBio2_003233 AKOS000276269 KS-1454 BPBio1_000590 M-1200 CCG-38837 Melatonex, 73-31-4 CS-1769 Melatonin solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material PREVENTION 2 (MELATONIN) Melatonine Rx Balance MLS001240204 SMP2_000309 N-Acetyl-5-methoxytryptamine Spectrum5_001745 NCGC00015680-01 ST24031293 NCGC00015680-09 Tox21_302926 NCGC00015680-18 [3H]melatonin NCGC00090727-08 NMR/14327425 Pineal Hormone Melatonin, Pharmaceutical Secondary Standard; Certified Reference Material DSSTox_CID_2421 0E2B08C1-B325-45B1-8939-6F9081EFDFA4 FT-0658928 73-31-4 HMS2089F09 AB2000011 HSCI1_000400 Acetamide, N-(2-(5-methoxy-1H-indol-3-yl)ethyl)-(9CI) J10164 Acetamide, {N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-} KBioGR_000591 BAS 01281092 Lopac-M-5250 BRN 0205542 MCULE-1497884152 Melatonin (JAN) D0AN7B PREVENTION 5 (MELATONIN) Melovine SC-16475 N-(2-(5-Methoxy-1H-indol-3-yl)ethyl)acetamide SPBio_002475 N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-Acetamide SR-01000075559-1 NCGC00015680-04 TC-063565 NCGC00015680-12 Vivitas NCGC00090727-03 {N-[2-(5-methoxyindol-3-yl)ethyl]-} Acetamide NCGC00259077-01 NSC-56423 Prestwick1_000458 DTXSID1022421 3-(n-acetyl-2-aminoethyl)-5-methoxyindole Guna-dermo A4039/0172195 HMS3262M16 AC1Q4F1W I05-0076 Acetamide, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]- (9CI) KBio1_000353 AJ-09558 KS-00000GX9 BDBM9019 LS-1623 C01598 Melatol Circadin Melatonin (synth.) ultra-pure Prestwick_312 Melatonina RP17870 MLS000859594 SDCCGMLS-0065812.P002 N-acetyl-5-methoxy-tryptamine Spectrum3_001393 N-[2-(5-methoxyindol-3-yl)ethyl]acetamide SR-01000075559-8 NCGC00015680-07 Tox21_110195_1 NCGC00015680-15 ZINC57060 NCGC00090727-06 Night Rest Oprea1_104553 DivK1c_000353 F1929-1777 5-22-12-00042 (Beilstein Handbook Reference) HMS1569K18 AB00053279_12 HMS3713K18 Acetamide, N-(2-(5-methoxy-1H-indol-3-yl)ethyl)- IDI1_002631 Acetamide, N-[2-(5-methoxyindol-3-yl)ethyl]- (6CI,8CI) KBio2_005801 ANW-42685 KSC498C4R BRD-K97530723-001-07-6 M-1250 CCRIS 3472 Melatonex, Melatonin CTK3J8148 Melatonin, >=99.5% PREVENTION 3 (MELATONIN) Melatonine, 99% S1204 MolPort-000-737-883 SMR000326666 N-[2-(5-Methoxy-1H-indol-3-yl)-ethyl]-acetamide Spectrum_000185 NCGC00015680-02 STK386880 NCGC00015680-10 Tox21_500787 NCGC00090727-01 [3H]MLT NCGC00090727-09 NSC 113928 Posidorm DSSTox_GSID_22421 GTPL1357 8041-44-9 HMS2096K18 AC-10019 HSDB 7509 Acetamide, N-(2-(5-methoxyindol-3-yl)ethyl)- JL5DK93RCL Acetamide, {N-[2-(5-methoxyindol-3-yl)ethyl]-} KBioSS_000665 BC200187 Lopac0_000787 BSPBio_000536 Mela-T CHEMBL45 Melatonin (MLT) D0B5CB Melatonin, powder, >=98% (TLC) PubChem18245 MFCD00005655 SCHEMBL19018 N-(2-(5-methoxyindol-3-yl)ethyl)-Acetamide SPECTRUM1500690 N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]acetamide SR-01000075559-6 NCGC00015680-05 TNP00300 NCGC00015680-13 WLN: T56 BMJ D2MV1 GO1 NCGC00090727-04 NCGC00261472-01 NSC113928 Prestwick2_000458 [ Show all ]
Inchi Key	DRLFMBDRBRZALE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
PubChem CID	896
ChEMBL	CHEMBL45
IUPHAR	224, 1357
BindingDB	9019
DrugBank	DB01065
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1000.0 nM	PMID7682702, PMID8224165	BindingDB

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218