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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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GPCR

Name	Substance-K receptor
Species	Rattus norvegicus (Rat)
Gene	Tacr2
Synonym	TAC2R Substance K receptor SP-E receptor SKR NKNAR NK2 receptor NK-2R NK-2 receptor Neurokinin B receptor Neurokinin A receptor Tachykinin receptor 2 [ Show all ]
Disease	N/A for non-human GPCRs
Length	390
Amino acid sequence	MGTRAIVSDANILSGLESNATGVTAFSMPGWQLALWATAYLALVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFIYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPSTKAIIAGIWLVALALASPQCFYSTITVDEGATKCVVAWPNDNGGKMLLLYHLVVFVLIYFLPLLVMFGAYSVIGLTLWKRAVPRHQAHGANLRHLQAKKKFVKAMVLVVLTFAICWLPYHLYFILGTFQEDIYYHKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTHTPSLSRRVNRCHTKETLFMTGDMTHSEATNGQVGSPQDGEPAGPICKAQA
UniProt	P16610
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4554
IUPHAR	361
DrugBank	N/A

Ligand

Name	CHEMBL2370058
Molecular formula	C45H63N11O8
IUPAC name	tert-butyl N-[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[(2R)-3-(1H-indol-3-yl)-1-[[(2S)-1-[(2R)-2-[(2S)-2-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]carbamate
Molecular weight	886.068
Hydrogen bond acceptor	9
Hydrogen bond donor	8
XlogP	2.1
Synonyms	N/A
Inchi Key	GAXLHOMRDONJTO-ILHQSSGPSA-N
Inchi ID	InChI=1S/C45H63N11O8/c1-27(51-38(58)32(18-11-21-49-43(46)47)54-44(63)64-45(2,3)4)37(57)52-33(25-29-26-50-31-17-10-9-16-30(29)31)39(59)53-34(24-28-14-7-6-8-15-28)41(61)56-23-13-20-36(56)42(62)55-22-12-19-35(55)40(60)48-5/h6-10,14-17,26-27,32-36,50H,11-13,18-25H2,1-5H3,(H,48,60)(H,51,58)(H,52,57)(H,53,59)(H,54,63)(H4,46,47,49)/t27-,32-,33+,34-,35-,36+/m0/s1
PubChem CID	73356094
ChEMBL	CHEMBL2370058
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 is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
pKB	7.5 -	PMID1321907	ChEMBL

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