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GLASS

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

Name	Substance-K receptor
Species	Homo sapiens (Human)
Gene	TACR2
Synonym	NK2 receptor Neurokinin A receptor Tachykinin receptor 2 TAC2R Substance K receptor SP-E receptor SKR Neurokinin B receptor NK-2 receptor NKNAR NK-2R [ Show all ]
Disease	Urinary incontinence Pain Unspecified Irritable bowel syndrome with diarrhoea Irritable bowel syndrome Infantile colics; Postoperative ileus Depression; Anxiety Depression; Acute or chronic pain; Anxiety disorders; Urinary incontinence Chronic obstructive pulmonary disease Asthma Anxiety disorder [ Show all ]
Length	398
Amino acid sequence	MGTCDIVTEANISSGPESNTTGITAFSMPSWQLALWATAYLALVLVAVTGNAIVIWIILAHRRMRTVTNYFIVNLALADLCMAAFNAAFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPSTKAVIAGIWLVALALASPQCFYSTVTMDQGATKCVVAWPEDSGGKTLLLYHLVVIALIYFLPLAVMFVAYSVIGLTLWRRAVPGHQAHGANLRHLQAMKKFVKTMVLVVLTFAICWLPYHLYFILGSFQEDIYCHKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTKEDKLELTPTTSLSTRVNRCHTKETLFMAGDTAPSEATSGEAGRPQDGSGLWFGYGLLAPTKTHVEI
UniProt	P21452
Protein Data Bank	N/A
GPCR-HGmod model	P21452
3D structure model	This predicted structure model is from GPCR-EXP P21452.
BioLiP	N/A
Therapeutic Target Database	T52790
ChEMBL	CHEMBL2327
IUPHAR	361
DrugBank	BE0002222

Ligand

Name	CHEMBL375214
Molecular formula	C47H57N9O12
IUPAC name	(2S)-2-acetamido-N'-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-[(2S,5S,8R,12R)-5,8-dibenzyl-2-(1H-indol-3-ylmethyl)-3,6,11,14-tetraoxo-1,4,7,10-tetrazacyclotetradec-12-yl]butanediamide
Molecular weight	940.024
Hydrogen bond acceptor	12
Hydrogen bond donor	12
XlogP	-0.7
Synonyms	N/A
Inchi Key	DODHZYCKVWXQJI-GKZILGEPSA-N
Inchi ID	InChI=1S/C47H57N9O12/c1-25(58)50-36(21-39(61)56-47-40(51-26(2)59)42(63)41(62)37(24-57)68-47)46(67)55-35-20-38(60)53-34(19-29-22-48-32-16-10-9-15-31(29)32)45(66)54-33(18-28-13-7-4-8-14-28)44(65)52-30(23-49-43(35)64)17-27-11-5-3-6-12-27/h3-16,22,30,33-37,40-42,47-48,57,62-63H,17-21,23-24H2,1-2H3,(H,49,64)(H,50,58)(H,51,59)(H,52,65)(H,53,60)(H,54,66)(H,55,67)(H,56,61)/t30-,33+,34+,35-,36+,37-,40-,41-,42-,47-/m1/s1
PubChem CID	44421492
ChEMBL	CHEMBL375214
IUPHAR	N/A
BindingDB	N/A
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
Ki	25.12 nM	PMID15615542	ChEMBL

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