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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-B receptor
Species	Rattus norvegicus (Rat)
Gene	Nmbr
Synonym	BB1 BB1 receptor neuromedin B receptor neuromedin-B-preferring bombesin receptor NMB-R
Disease	N/A for non-human GPCRs
Length	390
Amino acid sequence	MPPRSLPNLSLPTEASESELEPEVWENDFLPDSDGTTAELVIRCVIPSLYLIIISVGLLGNIMLVKIFLTNSTMRSVPNIFISNLAAGDLLLLLTCVPVDASRYFFDEWVFGKLGCKLIPAIQLTSVGVSVFTLTALSADRYRAIVNPMDMQTSGVVLWTSLKAVGIWVVSVLLAVPEAVFSEVARIGSSDNSSFTACIPYPQTDELHPKIHSVLIFLVYFLIPLVIISIYYYHIAKTLIRSAHNLPGEYNEHTKKQMETRKRLAKIVLVFVGCFVFCWFPNHILYLYRSFNYKEIDPSLGHMIVTLVARVLSFSNSCVNPFALYLLSESFRKHFNSQLCCGQKSYPERSTSYLLSSSAVRMTSLKSNAKNVVTNSVLLNGHSTKQEIAL
UniProt	P24053
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	CHEMBL4440
IUPHAR	38
DrugBank	N/A

Ligand

Name	PD165929
Molecular formula	C37H47N5O2
IUPAC name	(2S)-2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-3-(1H-indol-3-yl)-2-methyl-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide
Molecular weight	593.816
Hydrogen bond acceptor	3
Hydrogen bond donor	4
XlogP	7.7
Synonyms	CHEMBL86828 (S)-2-[3-(2,6-Diisopropyl-phenyl)-ureido]-3-(1H-indol-3-yl)-2-methyl-N-(1-pyridin-2-yl-cyclohexylmethyl)-propionamide PD 165929 BDBM50071754 Xenopus NMB D03TEJ PD-165929 (2S)-2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-3-(1H-indol-3-yl)-2-methyl-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide GTPL620 AC1NSKHB [ Show all ]
Inchi Key	RVCSRPVACXMJEL-BHVANESWSA-N
Inchi ID	InChI=1S/C37H47N5O2/c1-25(2)28-15-13-16-29(26(3)4)33(28)41-35(44)42-36(5,22-27-23-39-31-17-8-7-14-30(27)31)34(43)40-24-37(19-10-6-11-20-37)32-18-9-12-21-38-32/h7-9,12-18,21,23,25-26,39H,6,10-11,19-20,22,24H2,1-5H3,(H,40,43)(H2,41,42,44)/t36-/m0/s1
PubChem CID	5311352
ChEMBL	CHEMBL86828
IUPHAR	N/A
BindingDB	50071754
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	150.0 nM	, Bioorg. Med. Chem. Lett., (1996) 6:21:2617	BindingDB,ChEMBL
Ki	4.0 nM	PMID10353842	BindingDB
Ki	340.0 nM	PMID10353842	BindingDB

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