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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 | CHEMBL133340 |
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Molecular formula | C38H64N10O8 |
IUPAC name | (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-5-[[amino-[[(2S)-2-amino-5-(methylamino)pentanoyl]amino]methylidene]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid |
Molecular weight | 788.992 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 10 |
XlogP | -0.9 |
Synonyms | Compound KK10 BDBM50133195 |
Inchi Key | LLPHZQDUSXFIAY-VGPFALITSA-N |
Inchi ID | InChI=1S/C38H64N10O8/c1-6-23(4)31(35(53)45-29(37(55)56)20-22(2)3)46-33(51)28(21-24-13-15-25(49)16-14-24)44-34(52)30-12-9-19-48(30)36(54)27(40)11-8-18-43-38(41)47-32(50)26(39)10-7-17-42-5/h13-16,22-23,26-31,42,49H,6-12,17-21,39-40H2,1-5H3,(H,44,52)(H,45,53)(H,46,51)(H,55,56)(H3,41,43,47,50)/t23-,26-,27-,28-,29-,30-,31-/m0/s1 |
PubChem CID | 44354303 |
ChEMBL | CHEMBL133340 |
IUPHAR | N/A |
BindingDB | 50133195 |
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 |
---|---|---|---|
IC50 | 0.24 nM | PMID12954066 | BindingDB,ChEMBL |
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