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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Neurotensin receptor type 1
Species	Rattus norvegicus (Rat)
Gene	Ntsr1
Synonym	NTS1 receptor NTRH NTR1 NTR NT-R-1 NT-1R neurotensin receptor type 1 NTSR1 neurotensin receptor 1 (high affinity) Levocabastin-insensitive neurotensin receptor High-affinity levocabastine-insensitive neurotensin receptor [ 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

Ligand

Name	CHEMBL1790463
Molecular formula	C42H64N6O8
IUPAC name	(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-(adamantane-1-carbonylamino)-5-aminopentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight	781.008
Hydrogen bond acceptor	9
Hydrogen bond donor	7
XlogP	2.4
Synonyms	BDBM50366296
Inchi Key	DVXFDOLZIKEQPP-MCJFELGWSA-N
Inchi ID	InChI=1S/C42H64N6O8/c1-5-25(4)35(38(52)45-33(40(54)55)16-24(2)3)47-36(50)32(20-26-10-12-30(49)13-11-26)44-37(51)34-9-7-15-48(34)39(53)31(8-6-14-43)46-41(56)42-21-27-17-28(22-42)19-29(18-27)23-42/h10-13,24-25,27-29,31-35,49H,5-9,14-23,43H2,1-4H3,(H,44,51)(H,45,52)(H,46,56)(H,47,50)(H,54,55)/t25-,27?,28?,29?,31+,32+,33+,34+,35+,42?/m1/s1
PubChem CID	56669202
ChEMBL	CHEMBL1790463
IUPHAR	N/A
BindingDB	50366296
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	180.0 nM	, Bioorg. Med. Chem. Lett., (1993) 3:10:2055	BindingDB,ChEMBL

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