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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	CID 45269039
Molecular formula	C22H23N3O3
IUPAC name	3,9,9-trimethyl-6-(2-nitrophenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Molecular weight	377.444
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.4
Synonyms	N/A
Inchi Key	HTYYFYGPAMUOGE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H23N3O3/c1-13-8-9-15-16(10-13)24-21(14-6-4-5-7-18(14)25(27)28)20-17(23-15)11-22(2,3)12-19(20)26/h4-10,21,23-24H,11-12H2,1-3H3
PubChem CID	45269039
ChEMBL	CHEMBL561979
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	550.0 nM	PMID19553112	ChEMBL

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