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GLASS

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

Name	Neuromedin-U receptor 1
Species	Homo sapiens (Human)
Gene	NMUR1
Synonym	NMU1 receptor NmU-R1 GPR66 G-protein coupled receptor FM-3 G-protein coupled receptor 66 FM-3 SNORF62 [ Show all ]
Disease	N/A
Length	426
Amino acid sequence	MTPLCLNCSVLPGDLYPGGARNPMACNGSAARGHFDPEDLNLTDEALRLKYLGPQQTELFMPICATYLLIFVVGAVGNGLTCLVILRHKAMRTPTNYYLFSLAVSDLLVLLVGLPLELYEMWHNYPFLLGVGGCYFRTLLFEMVCLASVLNVTALSVERYVAVVHPLQARSMVTRAHVRRVLGAVWGLAMLCSLPNTSLHGIRQLHVPCRGPVPDSAVCMLVRPRALYNMVVQTTALLFFCLPMAIMSVLYLLIGLRLRRERLLLMQEAKGRGSAAARSRYTCRLQQHDRGRRQVTKMLFVLVVVFGICWAPFHADRVMWSVVSQWTDGLHLAFQHVHVISGIFFYLGSAANPVLYSLMSSRFRETFQEALCLGACCHRLRPRHSSHSLSRMTTGSTLCDVGSLGSWVHPLAGNDGPEAQQETDPS
UniProt	Q9HB89
Protein Data Bank	N/A
GPCR-HGmod model	Q9HB89
3D structure model	This predicted structure model is from GPCR-EXP Q9HB89.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1075178
IUPHAR	298
DrugBank	N/A

Ligand

Name	CHEMBL3315348
Molecular formula	C51H67N15O8
IUPAC name	(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-3-naphthalen-2-yl-2-(3-pyridin-3-ylpropanoylamino)propanoyl]amino]-3-phenylpropanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]butanediamide
Molecular weight	1018.19
Hydrogen bond acceptor	11
Hydrogen bond donor	11
XlogP	-0.7
Synonyms	GTPL7926 BDBM50049424 compound 8d [PMID: 24999562] D0M9DD
Inchi Key	HPJGEESDHAUUQR-SKGSPYGFSA-N
Inchi ID	InChI=1S/C51H67N15O8/c52-42(67)29-38(44(53)69)64-45(70)36(15-7-23-59-50(54)55)62-48(73)41-17-9-25-66(41)49(74)37(16-8-24-60-51(56)57)63-47(72)40(27-31-10-2-1-3-11-31)65-46(71)39(61-43(68)21-19-32-12-6-22-58-30-32)28-33-18-20-34-13-4-5-14-35(34)26-33/h1-6,10-14,18,20,22,26,30,36-41H,7-9,15-17,19,21,23-25,27-29H2,(H2,52,67)(H2,53,69)(H,61,68)(H,62,73)(H,63,72)(H,64,70)(H,65,71)(H4,54,55,59)(H4,56,57,60)/t36-,37-,38-,39-,40-,41-/m0/s1
PubChem CID	91623352
ChEMBL	CHEMBL3315348
IUPHAR	7926
BindingDB	50049424
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
Activity	5.1 nM	PMID24999562	ChEMBL
Activity	63.0 %	PMID24999562	ChEMBL
Activity	84.0 %	PMID24999562	ChEMBL
EC50	1.0 - 10.0 nM	PMID24999562	IUPHAR
EC50	2.2 nM	PMID24999562	BindingDB,ChEMBL
Intrinsic activity	79.0 %	PMID24999562	ChEMBL

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