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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	CHEMBL2369587
Molecular formula	C42H66N6O8
IUPAC name	(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)acetyl]amino]-6-aminohexanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight	783.024
Hydrogen bond acceptor	9
Hydrogen bond donor	7
XlogP	3.1
Synonyms	BDBM50366302
Inchi Key	UJSOJPDHNUFLSP-SNICJWLRSA-N
Inchi ID	InChI=1S/C42H66N6O8/c1-5-26(4)37(40(53)46-34(42(55)56)22-25(2)3)47-38(51)33(23-27-14-18-30(49)19-15-27)45-39(52)35-13-9-21-48(35)41(54)32(12-6-7-20-43)44-36(50)24-29-17-16-28-10-8-11-31(28)29/h14-15,18-19,25-26,28-29,31-35,37,49H,5-13,16-17,20-24,43H2,1-4H3,(H,44,50)(H,45,52)(H,46,53)(H,47,51)(H,55,56)/t26-,28?,29?,31?,32-,33-,34-,35-,37-/m0/s1
PubChem CID	73356042
ChEMBL	CHEMBL2369587
IUPHAR	N/A
BindingDB	50366302
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	540.0 nM	, Bioorg. Med. Chem. Lett., (1993) 3:10:2055	BindingDB,ChEMBL

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