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GLASS

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GPCR

Name	Neurotensin receptor type 1
Species	Homo sapiens (Human)
Gene	NTSR1
Synonym	NTSR1 NTS1 receptor NTRH NTR1 NTR NT-R-1 NT-1R neurotensin receptor type 1 neurotensin receptor 1 (high affinity) Levocabastin-insensitive neurotensin receptor High-affinity levocabastine-insensitive neurotensin receptor [ Show all ]
Disease	Acute or chronic pain Alcohol use disorders Pain Inflammatory bowel disease Neurological disease
Length	418
Amino acid sequence	MRLNSSAPGTPGTPAADPFQRAQAGLEEALLAPGFGNASGNASERVLAAPSSELDVNTDIYSKVLVTAVYLALFVVGTVGNTVTAFTLARKKSLQSLQSTVHYHLGSLALSDLLTLLLAMPVELYNFIWVHHPWAFGDAGCRGYYFLRDACTYATALNVASLSVERYLAICHPFKAKTLMSRSRTKKFISAIWLASALLAVPMLFTMGEQNRSADGQHAGGLVCTPTIHTATVKVVIQVNTFMSFIFPMVVISVLNTIIANKLTVMVRQAAEQGQVCTVGGEHSTFSMAIEPGRVQALRHGVRVLRAVVIAFVVCWLPYHVRRLMFCYISDEQWTPFLYDFYHYFYMVTNALFYVSSTINPILYNLVSANFRHIFLATLACLCPVWRRRRKRPAFSRKADSVSSNHTLSSNATRETLY
UniProt	P30989
Protein Data Bank	N/A
GPCR-HGmod model	P30989
3D structure model	This predicted structure model is from GPCR-EXP P30989.
BioLiP	N/A
Therapeutic Target Database	T02728
ChEMBL	CHEMBL4123
IUPHAR	309
DrugBank	N/A

Ligand

Name	CHEMBL435199
Molecular formula	C41H67N11O7
IUPAC name	(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-5-[[amino-[[(2S)-2,7-diaminoheptanoyl]amino]methylidene]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3,3-dimethylbutanoyl]amino]-4-methylpentanoic acid
Molecular weight	826.057
Hydrogen bond acceptor	11
Hydrogen bond donor	10
XlogP	-0.2
Synonyms	BDBM50133189 Compound KK14
Inchi Key	KDAYPBODTWHIKT-LWKXKDDLSA-N
Inchi ID	InChI=1S/C41H67N11O7/c1-24(2)21-31(39(58)59)49-37(56)33(41(3,4)5)50-35(54)30(22-25-23-47-29-16-9-8-13-26(25)29)48-36(55)32-17-12-20-52(32)38(57)28(44)15-11-19-46-40(45)51-34(53)27(43)14-7-6-10-18-42/h8-9,13,16,23-24,27-28,30-33,47H,6-7,10-12,14-15,17-22,42-44H2,1-5H3,(H,48,55)(H,49,56)(H,50,54)(H,58,59)(H3,45,46,51,53)/t27-,28-,30-,31-,32-,33+/m0/s1
PubChem CID	44354121
ChEMBL	CHEMBL435199
IUPHAR	N/A
BindingDB	50133189
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	133.0 nM	PMID12954066	BindingDB,ChEMBL

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