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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 | CHEMBL1793999 |
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Molecular formula | C37H55FN6O7 |
IUPAC name | (2S)-2-[[(2S,3S)-2-[[[3-[[(2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]phenyl]-[(4-fluorophenyl)methyl]carbamoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid |
Molecular weight | 714.88 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 6 |
XlogP | 2.9 |
Synonyms | BDBM50366374 |
Inchi Key | JORDGPSSWUCKKY-XTPLGNKUSA-N |
Inchi ID | InChI=1S/C37H55FN6O7/c1-8-24(4)31(33(46)41-30(34(47)48)20-23(2)3)43-35(49)44(22-25-15-17-26(38)18-16-25)28-13-11-12-27(21-28)40-32(45)29(14-9-10-19-39)42-36(50)51-37(5,6)7/h11-13,15-18,21,23-24,29-31H,8-10,14,19-20,22,39H2,1-7H3,(H,40,45)(H,41,46)(H,42,50)(H,43,49)(H,47,48)/t24-,29-,30-,31-/m0/s1 |
PubChem CID | 56681743 |
ChEMBL | CHEMBL1793999 |
IUPHAR | N/A |
BindingDB | 50366374 |
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 | 890.0 nM | , Bioorg. Med. Chem. Lett., (1995) 5:11:1203 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417