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	Thyrotropin receptor
Species	Homo sapiens (Human)
Gene	TSHR
Synonym	LGR3 Thyroid-stimulating hormone receptor Thyrotropin Receptor TSH receptor TSH-R
Disease	Thyroid cancer diagnosis Diagnostic test to differentiate primary and secondary hypothyroidism Thyroid cancer
Length	764
Amino acid sequence	MRPADLLQLVLLLDLPRDLGGMGCSSPPCECHQEEDFRVTCKDIQRIPSLPPSTQTLKLIETHLRTIPSHAFSNLPNISRIYVSIDVTLQQLESHSFYNLSKVTHIEIRNTRNLTYIDPDALKELPLLKFLGIFNTGLKMFPDLTKVYSTDIFFILEITDNPYMTSIPVNAFQGLCNETLTLKLYNNGFTSVQGYAFNGTKLDAVYLNKNKYLTVIDKDAFGGVYSGPSLLDVSQTSVTALPSKGLEHLKELIARNTWTLKKLPLSLSFLHLTRADLSYPSHCCAFKNQKKIRGILESLMCNESSMQSLRQRKSVNALNSPLHQEYEENLGDSIVGYKEKSKFQDTHNNAHYYVFFEEQEDEIIGFGQELKNPQEETLQAFDSHYDYTICGDSEDMVCTPKSDEFNPCEDIMGYKFLRIVVWFVSLLALLGNVFVLLILLTSHYKLNVPRFLMCNLAFADFCMGMYLLLIASVDLYTHSEYYNHAIDWQTGPGCNTAGFFTVFASELSVYTLTVITLERWYAITFAMRLDRKIRLRHACAIMVGGWVCCFLLALLPLVGISSYAKVSICLPMDTETPLALAYIVFVLTLNIVAFVIVCCCYVKIYITVRNPQYNPGDKDTKIAKRMAVLIFTDFICMAPISFYALSAILNKPLITVSNSKILLVLFYPLNSCANPFLYAIFTKAFQRDVFILLSKFGICKRQAQAYRGQRVPPKNSTDIQVQKVTHDMRQGLHNMEDVYELIENSHLTPKKQGQISEEYMQTVL
UniProt	P16473
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	T60606
ChEMBL	CHEMBL1963
IUPHAR	255
DrugBank	N/A

Ligand

Name	ellipticine
Molecular formula	C17H14N2
IUPAC name	5,11-dimethyl-6H-pyrido[4,3-b]carbazole
Molecular weight	246.313
Hydrogen bond acceptor	1
Hydrogen bond donor	1
XlogP	4.8
Synonyms	E 3380 EU-0100531 HY-15753 MLS000736786 5,11- paragraph signthorn(1/4)x>>u-6H-ssAa currency(2) cent[4,3-b]ssCsso NCGC00015411-06 519-23-3 NCGC00261216-01 AKOS024457578 Prestwick1_000614 BRD-K85985071-001-03-3 SMR000058370 CC-20854 VZ29809 CJ-30263 Ellipticin HMS1569L10 Lopac-E-3380 NCGC00015411-01 5,11-Dimethyl-6H-pyrido[4,3-b]carbazole NCGC00015411-09 6H-Pyrido[4,3-b]carbazole, 5,11-dimethyl- NSC 71795 BC600625 Prestwick_194 BRN 0221300 SR-01000003083-2 CCRIS 2003 CTK8F9429 DB-052047 Ellipticine, synthetic HMS3261L03 LS-133282 117VLW7484 NCGC00015411-04 5-23-09-00417 (Beilstein Handbook Reference) NCGC00022199-04 AC1Q2GNZ Opera_ID_1748 BN0731 REGID_for_CID_3213 C09154 Tox21_500531 CHEMBL123 EINECS 208-264-0 EX-A2053 ICIG 770 MLS001076505 5,11-dimethyl-2H-pyrido[4,3-b]carbazole NCGC00015411-07 55042-50-7 (tartrate) NCI60_040685 AOB6851 Prestwick2_000614 BRD-K85985071-001-16-5 SPBio_002767 CCG-36483 WLN: T D6 B656 FN LMJ C1 J1 CP 5 HMS2096L10 Lopac0_000531 NCGC00015411-02 5,11-Dimethylpyrido[4,3-b]carbazole NCGC00015411-10 6H-Pyrido[4,3-b]carbazole,5,11-dimethyl- NSC-71795 BCP13208 Probes1_000152 BSPBio_000548 SR-01000003083-6 CHEBI:4776 CTSPAMFJBXKSOY-UHFFFAOYSA-N DTXSID30199855 Elliptisine HMS3371L09 MLS000028487 33668-12-1 (hydrochloride) NCGC00015411-05 NCGC00022199-05 AC1Q2QHZ Prestwick0_000614 BPBio1_000604 SCHEMBL138079 CAS-519-23-3 UNII-117VLW7484 cid_3213 elliptecine FT-0632272 K00071 MolPort-001-839-649 5,11-Dimethyl-6H-pyrido(4,3-b)carbazole NCGC00015411-08 6H-Pyrido(4,3-b)carbazole, 5,11-dimethyl- Neuro_000031 B7382 Prestwick3_000614 BRD-K85985071-001-22-3 SR-01000003083 CCG36483; NSC71795 ZINC1846592 CS-5294 D00DNY ellipticine, HCl HMS2230H10 LP00531 NCGC00015411-03 5,3-b]carbazole NCGC00022199-03 AC1L1FFE NSC71795 BDBM50004233 Probes2_000130 C-15019 TCMDC-125546 [ Show all ]
Inchi Key	CTSPAMFJBXKSOY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3
PubChem CID	3213
ChEMBL	CHEMBL123
IUPHAR	N/A
BindingDB	50004233
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Potency	25118.9 nM	PubChem BioAssay data set	ChEMBL

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