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Name | Neurotensin receptor type 1 |
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Species | Homo sapiens (Human) |
Gene | NTSR1 |
Synonym | NTSR1 NTS1 receptor NTRH NTR1 NTR [ Show all ] |
Disease | Acute or chronic pain Alcohol use disorders Pain Inflammatory bowel disease Neurological disease |
Length | 418 |
Amino acid sequence | MRLNSSAPGTPGTPAADPFQRAQAGLEEALLAPGFGNASGNASERVLAAPSSELDVNTDIYSKVLVTAVYLALFVVGTVGNTVTAFTLARKKSLQSLQSTVHYHLGSLALSDLLTLLLAMPVELYNFIWVHHPWAFGDAGCRGYYFLRDACTYATALNVASLSVERYLAICHPFKAKTLMSRSRTKKFISAIWLASALLAVPMLFTMGEQNRSADGQHAGGLVCTPTIHTATVKVVIQVNTFMSFIFPMVVISVLNTIIANKLTVMVRQAAEQGQVCTVGGEHSTFSMAIEPGRVQALRHGVRVLRAVVIAFVVCWLPYHVRRLMFCYISDEQWTPFLYDFYHYFYMVTNALFYVSSTINPILYNLVSANFRHIFLATLACLCPVWRRRRKRPAFSRKADSVSSNHTLSSNATRETLY |
UniProt | P30989 |
Protein Data Bank | N/A |
GPCR-HGmod model | P30989 |
3D structure model | This predicted structure model is from GPCR-EXP P30989. |
BioLiP | N/A |
Therapeutic Target Database | T02728 |
ChEMBL | CHEMBL4123 |
IUPHAR | 309 |
DrugBank | N/A |
Name | CHEMBL344067 |
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Molecular formula | C40H66N12O8 |
IUPAC name | (2R)-2-[[(2R,3S)-2-[[(2R)-2-[[(2R)-1-[(2R)-2-[[(2S)-2-azido-7-(methylamino)heptanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid |
Molecular weight | 843.044 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 9 |
XlogP | 1.4 |
Synonyms | N/A |
Inchi Key | CXWAZRVTUYPUGX-SEDOAQPGSA-N |
Inchi ID | InChI=1S/C40H66N12O8/c1-6-25(4)33(37(57)48-31(39(59)60)22-24(2)3)49-35(55)30(23-26-15-17-27(53)18-16-26)47-36(56)32-14-11-21-52(32)38(58)29(13-10-20-45-40(41)42)46-34(54)28(50-51-43)12-8-7-9-19-44-5/h15-18,24-25,28-33,44,53H,6-14,19-23H2,1-5H3,(H,46,54)(H,47,56)(H,48,57)(H,49,55)(H,59,60)(H4,41,42,45)/t25-,28-,29+,30+,31+,32+,33+/m0/s1 |
PubChem CID | 44363424 |
ChEMBL | CHEMBL344067 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|
Relative affinity | 54.0 - | PMID10579853 | ChEMBL |
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