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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 | MLS001116168 |
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Molecular formula | C19H15ClFN3O3S |
IUPAC name | 5-chloro-N-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide |
Molecular weight | 419.855 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 3.5 |
Synonyms | 5-chloro-N-(4-fluorophenyl)-2-[(2-methylbenzyl)sulfonyl]pyrimidine-4-carboxamide cid_16452954 ZINC9206947 MLS-0363689.0001 5-chloranyl-N-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide [ Show all ] |
Inchi Key | LIEQNFQFBUWUFS-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C19H15ClFN3O3S/c1-12-4-2-3-5-13(12)11-28(26,27)19-22-10-16(20)17(24-19)18(25)23-15-8-6-14(21)7-9-15/h2-10H,11H2,1H3,(H,23,25) |
PubChem CID | 16452954 |
ChEMBL | CHEMBL1477528 |
IUPHAR | N/A |
BindingDB | 54506 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Potency | 75686.3 nM | PubChem BioAssay data set | ChEMBL |
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