You can:
Name | Neurotensin receptor type 1 |
---|---|
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 | CHEMBL3622805 |
---|---|
Molecular formula | C39H68N10O8Si |
IUPAC name | (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-trimethylsilylpropanoyl]amino]-4-methylpentanoic acid |
Molecular weight | 833.12 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 10 |
XlogP | None |
Synonyms | BDBM50124141 |
Inchi Key | JXXKKBSAIYYKNT-JNRWAQIZSA-N |
Inchi ID | InChI=1S/C39H68N10O8Si/c1-24(2)21-30(38(56)57)47-35(53)31(23-58(4,5)6)48-34(52)29(22-25-14-16-26(50)17-15-25)46-36(54)32-13-10-20-49(32)37(55)28(11-7-8-18-40)45-33(51)27(43-3)12-9-19-44-39(41)42/h14-17,24,27-32,43,50H,7-13,18-23,40H2,1-6H3,(H,45,51)(H,46,54)(H,47,53)(H,48,52)(H,56,57)(H4,41,42,44)/t27-,28-,29-,30-,31-,32-/m0/s1 |
PubChem CID | 122192059 |
ChEMBL | CHEMBL3622805 |
IUPHAR | N/A |
BindingDB | 50124141 |
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. Partition coefficient log P of this ligand is not available. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 4.19 nM | PMID26348111 | ChEMBL |
EC50 | 4.2 nM | PMID26348111 | BindingDB |
EC50 | 203.7 nM | PMID26348111 | ChEMBL |
EC50 | 204.0 nM | PMID26348111 | BindingDB |
IC50 | 246.0 nM | PMID26348111 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218