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 ●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 1A
Species	Rattus norvegicus (Rat)
Gene	Htr1a
Synonym	5-HT1A receptor 5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled 5-HT1A ADRB2RL1 ADRBRL1 5-HT-1A Gpcr18 Serotonin receptor 1A [ Show all ]
Disease	N/A for non-human GPCRs
Length	422
Amino acid sequence	MDVFSFGQGNNTTASQEPFGTGGNVTSISDVTFSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVRKVEKKGAGTSLGTSSAPPPKKSLNGQPGSGDWRRCAENRAVGTPCTNGAVRQGDDEATLEVIEVHRVGNSKEHLPLPSESGSNSYAPACLERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPALLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRR
UniProt	P19327
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	CHEMBL273
IUPHAR	1
DrugBank	N/A

Ligand

Name	SB 204741
Molecular formula	C14H14N4OS
IUPAC name	1-(1-methylindol-5-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea
Molecular weight	286.353
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	2.4
Synonyms	Tocris-1372 1-(1-methyl-1H-indol-5-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea A809277 C-18040 DTXSID80390956 KB-298203 N-(1-Methyl-1H-5-indolyl)-N inverted exclamation marka-(3-methyl-5-isothiazolyl)urea NCGC00015923-02 NCGC00260940-01 SB-204,741 ZINC16912 1-(1-methylindol-5-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea API0007588 CHEBI:140936 GTPL221 Lopac0_000255 N-(1-Methyl-1H-indol-5-yl)-N'-(3-methyl-5-isothiazolyl)urea NCGC00015923-05 PDSP2_001564 SCHEMBL3377716 3-(3-METHYL-1,2-THIAZOL-5-YL)-1-(1-METHYLINDOL-5-YL)UREA BDBM84991 CTK8F0087 HMS3369K08 MLS000862184 N-(1-methyl-5-indolyl)-N'-(3-methyl-5-isothiazolyl)urea NCGC00025129-02 SR-01000075765-1 Tox21_500255 1-(1-methyl-1H-indol-5-yl)-3-(3-methylisothiazol-5-yl)urea AC1MLYNA CAS_3277600 EU-0100255 L000536 N-(1-Methyl-1H-5-indolyl)-N'-(3-methyl-5-isothiazolyl)urea NCGC00015923-03 NSC_3277600 SB-204741 152239-46-8 B6708 HMS2231C03 LP00255 N-(1-Methyl-1H-indolyl-5-yl)-N''-(3-methyl-5-isothiazolyl) urea NCGC00015923-06 RTX-011453 SMR000326947 BRD-K15391446-001-11-0 D04AZE J-008905 MolPort-003-959-484 NCGC00015923-01 NCGC00025129-03 SB 204741, >98% (HPLC) SR-01000075765-3 ZB000747 1-(1-methyl-5-indolyl)-3-(3-methyl-5-isothiazolyl)urea AKOS024456556 CCG-204350 FT-0643481 Lopac-S-0693 N-(1-Methyl-1H-indo-5-yl)-N'-(3-methyl-5-isothiazolyl)urea NCGC00015923-04 PDSP1_001580 SB204741 BCP28144 CHEMBL323356 HMS3260D12 MFCD00923644 N-(1-METHYL-1H-INDOLYL-5-YL)-N''-(3-METHYL-5-ISOTHIAZOLYL)UREA NCGC00025129-01 S 0693 SR-01000075765 [ Show all ]
Inchi Key	USFUFHFQWXDVMH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H14N4OS/c1-9-7-13(20-17-9)16-14(19)15-11-3-4-12-10(8-11)5-6-18(12)2/h3-8H,1-2H3,(H2,15,16,19)
PubChem CID	3277600
ChEMBL	CHEMBL323356
IUPHAR	221
BindingDB	84991
DrugBank	N/A
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	PMID8788493	BindingDB
Ki	>10000.0 nM	PMID7699699	ChEMBL

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