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Name | Thyrotropin receptor |
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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 |
Name | SMR000046926 |
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Molecular formula | C24H30N2O5S |
IUPAC name | N-[(1S)-2-[(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-2-oxo-1-phenylethyl]-4-methoxybenzenesulfonamide |
Molecular weight | 458.573 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 3.1 |
Synonyms | MLS002583829 AKOS032393637 HMS2298L15 958965-47-4 MolPort-002-633-990 [ Show all ] |
Inchi Key | AGSUEVZKEZMOLO-APTRMMRNSA-N |
Inchi ID | InChI=1S/C24H30N2O5S/c1-31-20-10-12-21(13-11-20)32(29,30)25-22(18-7-3-2-4-8-18)23(27)26-16-15-24(28)14-6-5-9-19(24)17-26/h2-4,7-8,10-13,19,22,25,28H,5-6,9,14-17H2,1H3/t19-,22-,24-/m0/s1 |
PubChem CID | 665649 |
ChEMBL | CHEMBL1413966 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Potency | 398.1 nM | PubChem BioAssay data set | ChEMBL |
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