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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 | CHEMBL218690 |
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Molecular formula | C30H23N5O2S |
IUPAC name | 3-[1-(3-aminopropyl)indazol-3-yl]-4-[1-(1-benzothiophen-3-yl)indol-3-yl]pyrrole-2,5-dione |
Molecular weight | 517.607 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 4.4 |
Synonyms | JNJ-8706646 3-(1-(3-aminopropyl)-1H-indazol-3-yl)-4-(1-(benzo[b]thiophen-3-yl)-1H-indol-3-yl)-1H-pyrrole-2,5-dione SCHEMBL3785953 BDBM50203818 |
Inchi Key | ANUONHHEYSLORP-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C30H23N5O2S/c31-14-7-15-35-23-12-5-2-10-20(23)28(33-35)27-26(29(36)32-30(27)37)21-16-34(22-11-4-1-8-18(21)22)24-17-38-25-13-6-3-9-19(24)25/h1-6,8-13,16-17H,7,14-15,31H2,(H,32,36,37) |
PubChem CID | 10301495 |
ChEMBL | CHEMBL218690 |
IUPHAR | N/A |
BindingDB | 50203818 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Activity | 38.0 % | PMID17266198 | ChEMBL |
Ki | 708.0 nM | PMID17266198 | BindingDB,ChEMBL |
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