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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 | CID 44419665 |
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Molecular formula | C69H106N24O18 |
IUPAC name | (2S)-N-[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-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]amino]-1,4-dioxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]butanediamide |
Molecular weight | 1559.76 |
Hydrogen bond acceptor | 21 |
Hydrogen bond donor | 25 |
XlogP | -6.5 |
Synonyms | N/A |
Inchi Key | IAKGLILDXYGGRU-UKYSFRFLSA-N |
Inchi ID | InChI=1S/C69H106N24O18/c1-33(2)23-40(70)67(111)93-22-10-15-51(93)66(110)91-49(29-54(73)98)63(107)87-45(25-36-16-18-38(95)19-17-36)60(104)89-47(27-52(71)96)62(106)88-46(26-37-30-81-41-12-7-6-11-39(37)41)61(105)90-48(28-53(72)97)64(108)92-50(32-94)65(109)83-35(5)57(101)82-31-55(99)84-44(24-34(3)4)59(103)86-43(14-9-21-80-69(77)78)58(102)85-42(56(74)100)13-8-20-79-68(75)76/h6-7,11-12,16-19,30,33-35,40,42-51,81,94-95H,8-10,13-15,20-29,31-32,70H2,1-5H3,(H2,71,96)(H2,72,97)(H2,73,98)(H2,74,100)(H,82,101)(H,83,109)(H,84,99)(H,85,102)(H,86,103)(H,87,107)(H,88,106)(H,89,104)(H,90,105)(H,91,110)(H,92,108)(H4,75,76,79)(H4,77,78,80)/t35-,40-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1 |
PubChem CID | 44419665 |
ChEMBL | CHEMBL221141 |
IUPHAR | N/A |
BindingDB | 50203808 |
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 | 10000.0 nM | PMID17266198 | BindingDB,ChEMBL |
Ki | 10000.0 nM | PMID17266198 | BindingDB,ChEMBL |
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