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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 | CHEMBL1790465 |
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Molecular formula | C45H60N6O8 |
IUPAC name | (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[(4-phenylbenzoyl)amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid |
Molecular weight | 813.009 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 7 |
XlogP | 3.5 |
Synonyms | BDBM50366300 |
Inchi Key | DSSNJNICEDASAY-GZNMLJNUSA-N |
Inchi ID | InChI=1S/C45H60N6O8/c1-5-29(4)39(43(56)49-37(45(58)59)26-28(2)3)50-41(54)36(27-30-16-22-34(52)23-17-30)48-42(55)38-15-11-25-51(38)44(57)35(14-9-10-24-46)47-40(53)33-20-18-32(19-21-33)31-12-7-6-8-13-31/h6-8,12-13,16-23,28-29,35-39,52H,5,9-11,14-15,24-27,46H2,1-4H3,(H,47,53)(H,48,55)(H,49,56)(H,50,54)(H,58,59)/t29-,35+,36+,37+,38+,39+/m1/s1 |
PubChem CID | 56658818 |
ChEMBL | CHEMBL1790465 |
IUPHAR | N/A |
BindingDB | 50366300 |
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 | 880.0 nM | , Bioorg. Med. Chem. Lett., (1993) 3:10:2055 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417