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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 | CHEMBL3915284 |
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Molecular formula | C40H65BrN10O8 |
IUPAC name | (2S)-2-[[(2S,3S)-2-[[(2R,3S)-3-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-2-(4-bromophenyl)oxolane-3-carbonyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid |
Molecular weight | 893.926 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 9 |
XlogP | -1.1 |
Synonyms | BDBM50206703 |
Inchi Key | MUEAQPOYEILMHR-SIDXGNBNSA-N |
Inchi ID | InChI=1S/C40H65BrN10O8/c1-5-24(4)31(35(54)48-29(37(56)57)22-23(2)3)49-38(58)40(17-21-59-32(40)25-13-15-26(41)16-14-25)50-34(53)30-12-9-20-51(30)36(55)28(11-6-7-18-42)47-33(52)27(43)10-8-19-46-39(44)45/h13-16,23-24,27-32H,5-12,17-22,42-43H2,1-4H3,(H,47,52)(H,48,54)(H,49,58)(H,50,53)(H,56,57)(H4,44,45,46)/t24-,27-,28-,29-,30-,31-,32+,40-/m0/s1 |
PubChem CID | 134142369 |
ChEMBL | CHEMBL3915284 |
IUPHAR | N/A |
BindingDB | 50206703 |
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 |
---|---|---|---|
Ki | 10000.0 nM | PMID27842797 | BindingDB,ChEMBL |
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