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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	CHEMBL2370069
Molecular formula	C50H71N13O11
IUPAC name	tert-butyl N-[(2S)-5-[[amino(nitramido)methylidene]amino]-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[(2R)-2-[(2S)-2-[[(2S)-1-amino-1-oxohexan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]carbamate
Molecular weight	1030.2
Hydrogen bond acceptor	12
Hydrogen bond donor	9
XlogP	3.5
Synonyms	N/A
Inchi Key	DBHBRBOJSGVFRU-QOWRJIHNSA-N
Inchi ID	InChI=1S/C50H71N13O11/c1-6-7-19-35(41(51)64)56-45(68)39-22-14-25-61(39)47(70)40-23-15-26-62(40)46(69)38(27-31-16-9-8-10-17-31)58-44(67)37(28-32-29-54-34-20-12-11-18-33(32)34)57-42(65)30(2)55-43(66)36(59-49(71)74-50(3,4)5)21-13-24-53-48(52)60-63(72)73/h8-12,16-18,20,29-30,35-40,54H,6-7,13-15,19,21-28H2,1-5H3,(H2,51,64)(H,55,66)(H,56,68)(H,57,65)(H,58,67)(H,59,71)(H3,52,53,60)/t30-,35-,36-,37+,38-,39-,40+/m0/s1
PubChem CID	14991669
ChEMBL	CHEMBL2370069
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	8.2 -	PMID1321907	ChEMBL

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