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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL292766
Molecular formula	C27H27N3O3
IUPAC name	benzyl N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
Molecular weight	441.531
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	4.7
Synonyms	benzyl N-[(1S)-1-(1H-indol-3-ylmethyl)-2-oxo-2-(phenethylamino)ethyl]carbamate MCULE-9277667016 AKOS001667091 [(S)-2-(1H-Indol-3-yl)-1-phenethylcarbamoyl-ethyl]-carbamic acid benzyl ester MolPort-007-567-951 BDBM50289801 ZINC9804746 [ Show all ]
Inchi Key	GTTXOKRFAXQYEU-VWLOTQADSA-N
Inchi ID	InChI=1S/C27H27N3O3/c31-26(28-16-15-20-9-3-1-4-10-20)25(17-22-18-29-24-14-8-7-13-23(22)24)30-27(32)33-19-21-11-5-2-6-12-21/h1-14,18,25,29H,15-17,19H2,(H,28,31)(H,30,32)/t25-/m0/s1
PubChem CID	44301871
ChEMBL	CHEMBL292766
IUPHAR	N/A
BindingDB	50289801
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	2600.0 nM	, Bioorg. Med. Chem. Lett., (1997) 7:15:1957	BindingDB,ChEMBL

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