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GPCR

Name	5-hydroxytryptamine receptor 1B
Species	Homo sapiens (Human)
Gene	HTR1B
Synonym	5-HT1B receptor 5-HT-1B 5-HT-1D-beta 5-HT1B Serotonin 1D beta receptor HTR1D2 5-HT1B serotonin receptor 5-HT1DB 5-HT1Dbeta 5-hydroxytryptamine (serotonin) receptor 1B, G protein-coupled serotonin receptor 1B S12 [ Show all ]
Disease	Chronic schizophrenics Major depressive disorder Migraine headaches Mood disorder Psychotic disorders Anxiety disorder [ Show all ]
Length	390
Amino acid sequence	MEEPGAQCAPPPPAGSETWVPQANLSSAPSQNCSAKDYIYQDSISLPWKVLLVMLLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASILHLCVIALDRYWAITDAVEYSAKRTPKRAAVMIALVWVFSISISLPPFFWRQAKAEEEVSECVVNTDHILYTVYSTVGAFYFPTLLLIALYGRIYVEARSRILKQTPNRTGKRLTRAQLITDSPGSTSSVTSINSRVPDVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHLAIFDFFTWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTS
UniProt	P28222
Protein Data Bank	4iar, 6g79, 5v54
GPCR-HGmod model	P28222
3D structure model	This structure is from PDB ID 4iar.
BioLiP	BL0239857, BL0403524,BL0403525, BL0417722
Therapeutic Target Database	T07806
ChEMBL	CHEMBL1898
IUPHAR	2
DrugBank	BE0000797

Ligand

Name	ritanserin
Molecular formula	C27H25F2N3OS
IUPAC name	6-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Molecular weight	477.574
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	5.2
Synonyms	6-(2-(4-(Bis(4-fluorophenyl);methylene);piperidin-1-yl);ethyl);-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one L001003 6-(2-{4-[Bis-(4-fluoro-phenyl)-methylene]-piperidin-1-yl}-ethyl)-7-methyl-thiazolo[3,2-a]pyrimidin-5-one (Ritanserin) MolPort-003-666-486 6-[2-[4-[bis(4-fluorophenyl)methylene]-1-piperidinyl]ethyl]-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one NCGC00015877-07 AB00053288_14 NCGC00261768-01 SR-01000000024 B6898 R-55667 UNII-145TFV465S C27H25F2N3OS Ritanserina CTK5F7657 SMR000058511 DSSTox_GSID_42594 HMS2093E19 145TFV465S JUQLTPCYUFPYKE-UHFFFAOYSA-N KBio2_004900 6-(2-(4-(bis(4-fluorophenyl)methylene)piperidin-1-yl)ethyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one LP01083 6-[2-[4-bis(4-Fluorophenyl)methylene]-1-piperidinyl]- NCGC00015877-02 6-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[2,3-b]pyrimidin-5-one NCGC00015877-11 AJ-23387 NSC758470 Tiserton BG0387 Ritanserin (USAN/INN) CCG-39338 Ritanserine [French] D0N2OM Spectrum3_001023 E2J (+)-6-[2-[4-[bis(4-fluorophenyl)methylene]-1-piperidinyl]ethyl]-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one HMS3268O04 5H-Thiazolo(3,2-a)pyrimidin-5-one, 6-(2-(4-(bis(4-fluorophenyl)methylene)-1-piperidinyl)ethyl)-7-methyl- 5h-thiazolo[3,2-a]pyrimidin-5-one, 6-[2-[4-[bis(4-fluorophenyl)methylene]-1-piperidinyl]ethyl]-7-methyl- KBioSS_002335 6-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one MLS000069360 6-[2-[4-[bis(4-fluorophenyl)-methylene]-1-piperidinyl]-ethyl]-5h-thiazolo[3,2-a]pyrimidin-5-one NCGC00015877-05 87051-43-2 NCGC00022447-05 API0004083 R 55,667 Tox21_110251_1 BSPBio_002805 Ritanserin [USAN:INN:BAN] CHEMBL267777 SBI-0051053.P003 DivK1c_000192 FT-0630948 I14-31889 KBio1_000192 6-(2-(4-(Bis(4-fluorophenyl)methylene)-1-piperidinyl)ethyl)-7-methyl-5H-thiazolo((3,2-a)pyrimidin-5-one Lopac-R-103 6-(2-{4-[Bis-(4-fluoro-phenyl)-methylene]-piperidin-1-yl}-ethyl)-7-methyl-thiazolo[3,2-a]pyrimidin-5-one(Ritanserin) N,N-dialkyl-dipeptidylamines 6-[2-[4-[bis(4-fluorophenyl)methylene]-1-piperidyl]ethyl]-7-methyl-thiazolo[3,2-a]pyrimidin-5-one NCGC00015877-08 AC1L1JJX NINDS_000192 SR-01000000024-3 BCP13728 REGID_for_CID_5074 ZINC538314 CAS-87051-43-2 Ritanserina [Spanish] D05738 SPBio_001440 DSSTox_RID_80055 HMS2233M22 3726AC KBio2_007468 6-(2-(4-(Bis(p-fluorophenyl)methylene)-piperidino)ethyl)-7-methyl-5H-thiazolo-(3,2-a)pyrimidin-5-one LS-156826 6-[2-[4-[bis (4-Fluorophenyl)- methylene]-1-piperidinyl]-ethyl]- 5H-thiazolo[3,2-a]pyrimidin-5-one NCGC00015877-03 6-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one NCGC00022447-03 AKOS015909799 Opera_ID_1609 Tiserton (TN) BRD-K40887525-001-02-9 ritanserin serotonin antagonist CHEBI:64195 Ritanserinum Spectrum5_001504 ethyl]-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one (ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methylene]-piperidin-1-yl}-ethyl)-7-methyl-2,3-dihydro-1H-indolizin-5-one HMS3373O19 5H-Thiazolo(3,2-a)pyrimidin-5-one, 6-(2-(4-bis(4-fluorophenyl)methylene)-1-piperidinyl)ethyl)-7-methyl- 5H-Thiazolo[3,2-a]pyrimidin-5-one,6-[2-[4-[bis(4-fluorophenyl)methylene]-1-piperidinyl]ethyl]-7-methyl- KS-00001841 6-(2-{4-[Bis-(4-fluoro-phenyl)-methylene]-piperidin-1-yl}-ethyl)-7-methyl-thiazolo[3,2-a]pyrimidin-5-one MLS001148629 6-[2-[4-[bis(4-fluorophenyl)-methylene]-1-piperidinyl]ethyl]-7-methyl-5H-thiazolo[3,2-a]-pyrimidin-5-one NCGC00015877-06 NCGC00178460-01 AX8150457 R-103 Tox21_501083 C-22775 Ritanserin, powder cid_5074 SCHEMBL49227 DSSTox_CID_22594 GTPL97 051R432 IDI1_000192 KBio2_002332 6-(2-(4-(Bis(4-fluorophenyl)methylene)piperidin-1-yl)-ethyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one Lopac0_001083 6-[2-[4-(bis(4-Fluorophenyl)methylene]-1-piperidinyl]ethyl]-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one NCGC00015877-01 6-[2-[4-[Bis(4-fluorophenyl)Methylidene]piperidin-1-yl]ethyl]-7-Methyl-[1,3]thia NCGC00015877-09 AC1Q4NH0 NSC-758470 SR-01000000024-4 BDBM50001775 CC-34269 Ritanserine D0K8NW Spectrum2_001560 DTXSID9042594 HMS3263I08 5H-Thiazolo[3,2-a]pyrimidin-5-one, 6-[2-[4-bis(4-fluorophenyl)methylene]-1-piperidinyl]ethyl]-7-methyl- KBio3_002025 6-(2-(4-[Bis(4-fluorophenyl)methylene]-1-piperidinyl)ethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one # MFCD00069341 6-[2-[4-[bis (4-Fluorophenyl)-methylene]-1-piperidinyl]-ethyl]-5H-thiazolo[3,2-a]pyrimidin-5-one NCGC00015877-04 6-[2-[4-[Bis(p-fluorophenyl)methylene]-piperidino]ethyl]-7-methyl-5H-thiazolo-[3,2-a]pyrimidin-5-one NCGC00022447-04 AN-16598 Pharmakon1600-01503421 Tox21_110251 BRD-K40887525-001-14-4 Ritanserin [USAN:BAN:INN] Ritanserinum [Latin] DB12693 Spectrum_001830 EU-0101083 (ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methylene]-piperidin-1-yl}-ethyl)-7-methyl-thiazolo[3,2-a]pyrimidin-5-one HMS500J14 [ Show all ]
Inchi Key	JUQLTPCYUFPYKE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
PubChem CID	5074
ChEMBL	CHEMBL267777
IUPHAR	97
BindingDB	50001775
DrugBank	DB12693
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	316.228 - 1000.0 nM	PMID9303569, PMID9605573	IUPHAR
Ki	266.0 nM	PMID9303569	PDSP,BindingDB
Ki	289.0 nM	PMID9303569	PDSP,BindingDB

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