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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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Go to the ligand page and check other GPCRs which it interacts with.
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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	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
pKb	7.7 -	PMID15615542	ChEMBL

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