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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	CHEMBL21521
Molecular formula	C41H62N6O7
IUPAC name	(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[3-(6-aminohexyl)-7-(5-aminopentoxy)-1H-indole-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight	750.982
Hydrogen bond acceptor	9
Hydrogen bond donor	8
XlogP	4.0
Synonyms	(S)-2-{(2S,3S)-2-[(S)-2-{[3-(6-Amino-hexyl)-7-(5-amino-pentyloxy)-1H-indole-2-carbonyl]-amino}-3-(4-hydroxy-phenyl)-propionylamino]-3-methyl-pentanoylamino}-4-methyl-pentanoic acid with di TFA CHEMBL1178334 BDBM50282578 N-[[3-(6-Aminohexyl)-7-[(5-aminopentyl)oxy]-1H-indol-2-yl]carbonyl]-L-Tyr-L-Ile-L-Leu-OH
Inchi Key	BWZSOXIHPXAIOQ-FCYJCMBSSA-N
Inchi ID	InChI=1S/C41H62N6O7/c1-5-27(4)35(39(50)45-33(41(52)53)24-26(2)3)47-38(49)32(25-28-17-19-29(48)20-18-28)44-40(51)37-31(14-9-6-7-10-21-42)30-15-13-16-34(36(30)46-37)54-23-12-8-11-22-43/h13,15-20,26-27,32-33,35,46,48H,5-12,14,21-25,42-43H2,1-4H3,(H,44,51)(H,45,50)(H,47,49)(H,52,53)/t27-,32-,33-,35-/m0/s1
PubChem CID	10033913
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50282578
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
Kd	300.0 nM	N/A	BindingDB

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