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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 | UPCMLD04ASTW002105 |
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Molecular formula | C28H31N3O3 |
IUPAC name | benzyl N-[(S)-[(1S,2R)-1-methyl-2-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]cyclopropyl]-phenylmethyl]carbamate |
Molecular weight | 457.574 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 4.3 |
Synonyms | MLS000563762 benzyl N-[(S)-[(1S,2R)-1-methyl-2-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]cyclopropyl]-phenylmethyl]carbamate SDCCGMLS-0091055.P001 CMLD4_000069 MLS003180896 [ Show all ] |
Inchi Key | AHRCPCLEXQYEJS-PFCXFHTISA-N |
Inchi ID | InChI=1S/C28H31N3O3/c1-20(26(32)30-18-23-15-9-10-16-29-23)24-17-28(24,2)25(22-13-7-4-8-14-22)31-27(33)34-19-21-11-5-3-6-12-21/h3-16,20,24-25H,17-19H2,1-2H3,(H,30,32)(H,31,33)/t20-,24-,25-,28+/m1/s1 |
PubChem CID | 3247279 |
ChEMBL | CHEMBL1453137 |
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 | 15848.9 nM | PubChem BioAssay data set | ChEMBL |
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