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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 | CHEMBL389262 |
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Molecular formula | C40H59N11O6 |
IUPAC name | (2S)-2-[[2-[[(2S)-2-(6-aminohexanoylamino)-3-phenylpropanoyl]amino]acetyl]amino]-N-[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methylpentanamide |
Molecular weight | 789.983 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 10 |
XlogP | 0.7 |
Synonyms | N/A |
Inchi Key | DYCQFAIHLRYOPA-YRCZKMHPSA-N |
Inchi ID | InChI=1S/C40H59N11O6/c1-25(2)20-32(49-35(53)24-47-37(55)33(21-26-12-5-3-6-13-26)48-34(52)17-7-4-10-18-41)39(57)50-30(16-11-19-45-40(43)44)38(56)51-31(36(42)54)22-27-23-46-29-15-9-8-14-28(27)29/h3,5-6,8-9,12-15,23,25,30-33,46H,4,7,10-11,16-22,24,41H2,1-2H3,(H2,42,54)(H,47,55)(H,48,52)(H,49,53)(H,50,57)(H,51,56)(H4,43,44,45)/t30-,31-,32-,33-/m0/s1 |
PubChem CID | 16735510 |
ChEMBL | CHEMBL389262 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Activity | 1.6 % | PMID17579384 | ChEMBL |
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