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Name | Neurotensin receptor type 1 |
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Species | Rattus norvegicus (Rat) |
Gene | Ntsr1 |
Synonym | NTS1 receptor NTRH NTR1 NTR NT-R-1 [ Show all ] |
Disease | N/A for non-human GPCRs |
Length | 424 |
Amino acid sequence | MHLNSSVPQGTPGEPDAQPFSGPQSEMEATFLALSLSNGSGNTSESDTAGPNSDLDVNTDIYSKVLVTAIYLALFVVGTVGNSVTAFTLARKKSLQSLQSTVHYHLGSLALSDLLILLLAMPVELYNFIWVHHPWAFGDAGCRGYYFLRDACTYATALNVASLSVERYLAICHPFKAKTLMSRSRTKKFISAIWLASALLAIPMLFTMGLQNRSGDGTHPGGLVCTPIVDTATVKVVIQVNTFMSFLFPMLVISILNTVIANKLTVMVHQAAEQGRVCTVGTHNGLEHSTFNMTIEPGRVQALRHGVLVLRAVVIAFVVCWLPYHVRRLMFCYISDEQWTTFLFDFYHYFYMLTNALFYVSSAINPILYNLVSANFRQVFLSTLACLCPGWRHRRKKRPTFSRKPNSMSSNHAFSTSATRETLY |
UniProt | P20789 |
Protein Data Bank | 3zev, 4buo, 4bv0, 4bwb, 5t04 |
GPCR-HGmod model | N/A |
3D structure model | This structure is from PDB ID 3zev. |
BioLiP | BL0365097, BL0267346,BL0267350, BL0267315,BL0267316, BL0267314,BL0267317, BL0267354,BL0267355, BL0267356,BL0267357, BL0365096, BL0267347,BL0267348,BL0267349, |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL3027 |
IUPHAR | 309 |
DrugBank | N/A |
Name | CHEMBL2372106 |
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Molecular formula | C43H66N6O8 |
IUPAC name | (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-(adamantane-1-carbonylamino)-6-aminohexanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid |
Molecular weight | 795.035 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 7 |
XlogP | 2.8 |
Synonyms | (S)-2-{(2S,3S)-2-[(S)-2-[((S)-1-{(S)-2-[(Adamantane-1-carbonyl)-amino]-6-amino-hexanoyl}-pyrrolidine-2-carbonyl)-amino]-3-(4-hydroxy-phenyl)-propionylamino]-3-methyl-pentanoylamino}-4-methyl-pentanoic acid BDBM50281811 SCHEMBL9540762 |
Inchi Key | UIMKLZHPVRXKRP-UBFYEMQFSA-N |
Inchi ID | InChI=1S/C43H66N6O8/c1-5-26(4)36(39(53)46-34(41(55)56)17-25(2)3)48-37(51)33(21-27-11-13-31(50)14-12-27)45-38(52)35-10-8-16-49(35)40(54)32(9-6-7-15-44)47-42(57)43-22-28-18-29(23-43)20-30(19-28)24-43/h11-14,25-26,28-30,32-36,50H,5-10,15-24,44H2,1-4H3,(H,45,52)(H,46,53)(H,47,57)(H,48,51)(H,55,56)/t26-,28?,29?,30?,32-,33-,34-,35-,36-,43?/m0/s1 |
PubChem CID | 10463024 |
ChEMBL | CHEMBL2372106 |
IUPHAR | N/A |
BindingDB | 50281811 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 117.0 nM | Bioorg. Med. Chem. Lett., (1993) 3:6:1035, | BindingDB,ChEMBL |
Ki | 120.0 nM | , Bioorg. Med. Chem. Lett., (1993) 3:10:2055 | BindingDB,ChEMBL |
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