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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 | CHEMBL3422406 |
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Molecular formula | C63H83N17O15 |
IUPAC name | (2S)-N-[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]butanediamide |
Molecular weight | 1318.46 |
Hydrogen bond acceptor | 17 |
Hydrogen bond donor | 19 |
XlogP | -2.4 |
Synonyms | SCHEMBL17345398 AKOS024458053 478507-53-8 BDBM50082075 Kisspeptin 10 (rat) |
Inchi Key | HVPGTDOCSYBNFC-INXYWQKQSA-N |
Inchi ID | InChI=1S/C63H83N17O15/c1-33(2)23-45(58(91)74-43(13-8-22-70-63(68)69)57(90)75-44(54(67)87)25-36-16-20-39(83)21-17-36)73-53(86)31-72-56(89)46(26-34-9-4-3-5-10-34)77-62(95)50(32-81)80-61(94)49(29-52(66)85)79-59(92)47(27-37-30-71-42-12-7-6-11-40(37)42)78-60(93)48(28-51(65)84)76-55(88)41(64)24-35-14-18-38(82)19-15-35/h3-7,9-12,14-21,30,33,41,43-50,71,81-83H,8,13,22-29,31-32,64H2,1-2H3,(H2,65,84)(H2,66,85)(H2,67,87)(H,72,89)(H,73,86)(H,74,91)(H,75,90)(H,76,88)(H,77,95)(H,78,93)(H,79,92)(H,80,94)(H4,68,69,70)/t41-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 |
PubChem CID | 90488921 |
ChEMBL | CHEMBL3422406 |
IUPHAR | N/A |
BindingDB | 50082075 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 2.5 nM | PMID25811530 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218