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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 | SMR000077435 |
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Molecular formula | C22H29N5O3S |
IUPAC name | 2-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide |
Molecular weight | 443.566 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 2.9 |
Synonyms | 2-[5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide MLS000050261 2-(4-allyl-5-{[2-(cyclohexylamino)-2-oxoethyl]thio}-4H-1,2,4-triazol-3-yl)-N-(3-methoxyphenyl)acetamide HMS2436K24 STK139645 [ Show all ] |
Inchi Key | AEOYDZOBAHWZDT-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H29N5O3S/c1-3-12-27-19(14-20(28)24-17-10-7-11-18(13-17)30-2)25-26-22(27)31-15-21(29)23-16-8-5-4-6-9-16/h3,7,10-11,13,16H,1,4-6,8-9,12,14-15H2,2H3,(H,23,29)(H,24,28) |
PubChem CID | 2959029 |
ChEMBL | CHEMBL1466031 |
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 | 25118.9 nM | PubChem BioAssay data set | ChEMBL |
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