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Name | KiSS-1 receptor |
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Species | Homo sapiens (Human) |
Gene | KISS1R |
Synonym | Metastin receptor Kisspeptins receptor kisspeptin receptor KiSS1-derived peptide receptor KiSS-1R [ Show all ] |
Disease | Prostate cancer |
Length | 398 |
Amino acid sequence | MHTVATSGPNASWGAPANASGCPGCGANASDGPVPSPRAVDAWLVPLFFAALMLLGLVGNSLVIYVICRHKPMRTVTNFYIANLAATDVTFLLCCVPFTALLYPLPGWVLGDFMCKFVNYIQQVSVQATCATLTAMSVDRWYVTVFPLRALHRRTPRLALAVSLSIWVGSAAVSAPVLALHRLSPGPRAYCSEAFPSRALERAFALYNLLALYLLPLLATCACYAAMLRHLGRVAVRPAPADSALQGQVLAERAGAVRAKVSRLVAAVVLLFAACWGPIQLFLVLQALGPAGSWHPRSYAAYALKTWAHCMSYSNSALNPLLYAFLGSHFRQAFRRVCPCAPRRPRRPRRPGPSDPAAPHAELLRLGSHPAPARAQKPGSSGLAARGLCVLGEDNAPL |
UniProt | Q969F8 |
Protein Data Bank | N/A |
GPCR-HGmod model | Q969F8 |
3D structure model | This predicted structure model is from GPCR-EXP Q969F8. |
BioLiP | N/A |
Therapeutic Target Database | T39123 |
ChEMBL | CHEMBL5413 |
IUPHAR | 266 |
DrugBank | N/A |
Name | CHEMBL1163888 |
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Molecular formula | C27H23N5O3S |
IUPAC name | N-[4-[3-(3-aminopropanoylamino)phenyl]-3-cyano-6-(2-hydroxy-4-methylphenyl)pyridin-2-yl]thiophene-2-carboxamide |
Molecular weight | 497.573 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 4 |
XlogP | 4.3 |
Synonyms | SCHEMBL5015360 BDBM50320813 N-{4-[3-(beta-Alanylamino)phenyl]-3-cyano-6-(2-hydroxy-4-methylphenyl)pyridin-2-yl}thiophene-2-carboxamide |
Inchi Key | HYRQMHQVTRODKF-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C27H23N5O3S/c1-16-7-8-19(23(33)12-16)22-14-20(17-4-2-5-18(13-17)30-25(34)9-10-28)21(15-29)26(31-22)32-27(35)24-6-3-11-36-24/h2-8,11-14,33H,9-10,28H2,1H3,(H,30,34)(H,31,32,35) |
PubChem CID | 136016389 |
ChEMBL | CHEMBL1163888 |
IUPHAR | N/A |
BindingDB | 50320813 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 12.0 nM | PMID20457527 | BindingDB,ChEMBL |
IC50 | 910.0 nM | PMID20457527 | BindingDB,ChEMBL |
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