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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 GPCR page and check other ligands which interact with it.
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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	CHEMBL59055
Molecular formula	C26H30N4O3
IUPAC name	2-(1H-indol-3-yl)ethyl N-[(2S)-3-(1H-indol-3-yl)-1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamate
Molecular weight	446.551
Hydrogen bond acceptor	3
Hydrogen bond donor	4
XlogP	4.4
Synonyms	BDBM50289850 [(S)-2-(1H-Indol-3-yl)-1-isobutylcarbamoyl-ethyl]-carbamic acid 2-(1H-indol-3-yl)-ethyl ester
Inchi Key	FHDWPVYJLZZWDV-DEOSSOPVSA-N
Inchi ID	InChI=1S/C26H30N4O3/c1-17(2)14-29-25(31)24(13-19-16-28-23-10-6-4-8-21(19)23)30-26(32)33-12-11-18-15-27-22-9-5-3-7-20(18)22/h3-10,15-17,24,27-28H,11-14H2,1-2H3,(H,29,31)(H,30,32)/t24-/m0/s1
PubChem CID	44301769
ChEMBL	CHEMBL59055
IUPHAR	N/A
BindingDB	50289850
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	3500.0 nM	, Bioorg. Med. Chem. Lett., (1997) 7:15:1957	BindingDB,ChEMBL

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