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Name | KiSS-1 receptor |
---|---|
Species | Rattus norvegicus (Rat) |
Gene | Kiss1r |
Synonym | Metastin receptor Kisspeptins receptor kisspeptin receptor KiSS1-derived peptide receptor KiSS-1R [ Show all ] |
Disease | N/A for non-human GPCRs |
Length | 396 |
Amino acid sequence | MAAEATLGPNVSWWAPSNASGCPGCGVNASDGPGSAPRPLDAWLVPLFFAALMLLGLVGNSLVIFVICRHKHMQTVTNFYIANLAATDVTFLLCCVPFTALLYPLPTWVLGDFMCKFVNYIQQVSVQATCATLTAMSVDRWYVTVFPLRALHRRTPRLALTVSLSIWVGSAAVSAPVLALHRLSPGPHTYCSEAFPSRALERAFALYNLLALYLLPLLATCACYGAMLRHLGRAAVRPAPTDGALQGQLLAQRAGAVRTKVSRLVAAVVLLFAACWGPIQLFLVLQALGPSGAWHPRSYAAYALKIWAHCMSYSNSALNPLLYAFLGSHFRQAFCRVCPCGPQRQRRPHASAHSDRAAPHSVPHSRAAHPVRVRTPEPGNPVRRSPSVQDEHTAPL |
UniProt | Q924U1 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL1169599 |
IUPHAR | 266 |
DrugBank | N/A |
Name | CHEMBL3314214 |
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Molecular formula | C60H79N17O12 |
IUPAC name | (2S)-1-[(2S)-4-amino-2-[[(2R)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-pyridin-4-ylpropanoyl]amino]-4-oxobutanoyl]-N-[(2S)-1-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-[(N'-methylcarbamimidoyl)amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide |
Molecular weight | 1230.4 |
Hydrogen bond acceptor | 15 |
Hydrogen bond donor | 16 |
XlogP | -0.3 |
Synonyms | BDBM50045497 |
Inchi Key | ABYBGYIGCRAKEK-MPULGSBDSA-N |
Inchi ID | InChI=1S/C60H79N17O12/c1-33(2)24-45(54(84)69-43(14-9-21-67-59(64)65-3)53(83)70-44(51(63)81)28-37-31-68-42-13-8-7-12-40(37)42)74-60(89)76-75-56(86)47(26-34-10-5-4-6-11-34)72-57(87)49-29-39(79)32-77(49)58(88)48(30-50(62)80)73-55(85)46(27-36-19-22-66-23-20-36)71-52(82)41(61)25-35-15-17-38(78)18-16-35/h4-8,10-13,15-20,22-23,31,33,39,41,43-49,68,78-79H,9,14,21,24-30,32,61H2,1-3H3,(H2,62,80)(H2,63,81)(H,69,84)(H,70,83)(H,71,82)(H,72,87)(H,73,85)(H,75,86)(H3,64,65,67)(H2,74,76,89)/t39?,41-,43+,44+,45+,46-,47+,48+,49+/m1/s1 |
PubChem CID | 118707483 |
ChEMBL | CHEMBL3314214 |
IUPHAR | N/A |
BindingDB | 50045497 |
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 | 95.0 nM | PMID24918545 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417