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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	Homo sapiens (Human)
Gene	NMBR
Synonym	BB1 receptor Epididymis tissue protein Li 185a BB1 neuromedin-B-preferring bombesin receptor NMB-R neuromedin B receptor [ Show all ]
Disease	N/A
Length	390
Amino acid sequence	MPSKSLSNLSVTTGANESGSVPEGWERDFLPASDGTTTELVIRCVIPSLYLLIITVGLLGNIMLVKIFITNSAMRSVPNIFISNLAAGDLLLLLTCVPVDASRYFFDEWMFGKVGCKLIPVIQLTSVGVSVFTLTALSADRYRAIVNPMDMQTSGALLRTCVKAMGIWVVSVLLAVPEAVFSEVARISSLDNSSFTACIPYPQTDELHPKIHSVLIFLVYFLIPLAIISIYYYHIAKTLIKSAHNLPGEYNEHTKKQMETRKRLAKIVLVFVGCFIFCWFPNHILYMYRSFNYNEIDPSLGHMIVTLVARVLSFGNSCVNPFALYLLSESFRRHFNSQLCCGRKSYQERGTSYLLSSSAVRMTSLKSNAKNMVTNSVLLNGHSMKQEMAL
UniProt	P28336
Protein Data Bank	N/A
GPCR-HGmod model	P28336
3D structure model	This predicted structure model is from GPCR-EXP P28336.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3636
IUPHAR	38
DrugBank	N/A

Ligand

Name	BDBM50295231
Molecular formula	C25H25F3N2O
IUPAC name	3-methyl-6-[2-(trifluoromethyl)phenyl]spiro[6,6a,8,10-tetrahydro-5H-benzo[b][1,4]benzodiazepine-9,1'-cyclopentane]-7-one
Molecular weight	426.483
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	5.9
Synonyms	(-)-8''-methyl-11''-(2-(trifluoromethyl)phenyl)-4'',5'',10'',11''-tetrahydrospiro[cyclopentane-1,3''-dibenzo[b,e][1,4]diazepin]-1''(2''H)-one (+)-8''-methyl-11''-(2-(trifluoromethyl)phenyl)-4'',5'',10'',11''-tetrahydrospiro[cyclopentane-1,3''-dibenzo[b,e][1,4]diazepin]-1''(2''H)-one 8''-methyl-11''-(2-(trifluoromethyl)phenyl)-4'',5'',10'',11''-tetrahydrospiro[cyclopentane-1,3''-dibenzo[b,e][1,4]diazepin]-1''(2''H)-one
Inchi Key	IQWRORKDYCAGBT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H25F3N2O/c1-15-8-9-18-19(12-15)30-23(16-6-2-3-7-17(16)25(26,27)28)22-20(29-18)13-24(14-21(22)31)10-4-5-11-24/h2-3,6-9,12,22-23,30H,4-5,10-11,13-14H2,1H3
PubChem CID	91934302
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50295231
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<10000.0 nM	PMID19553112	BindingDB
IC50	30.0 nM	PMID19553112	BindingDB
IC50	96.0 nM	PMID19553112	BindingDB
IC50	580.0 nM	PMID19553112	BindingDB

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