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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	CHEMBL58605
Molecular formula	C19H25N3O5
IUPAC name	2-[[(2S)-3-(1H-indol-3-yl)-1-(3-methylbutylamino)-1-oxopropan-2-yl]carbamoyloxy]acetic acid
Molecular weight	375.425
Hydrogen bond acceptor	5
Hydrogen bond donor	4
XlogP	2.5
Synonyms	BDBM50289818 [(S)-2-(1H-Indol-3-yl)-1-(3-methyl-butylcarbamoyl)-ethylcarbamoyloxy]-acetic acid
Inchi Key	IIRJFVOPVAWNSL-INIZCTEOSA-N
Inchi ID	InChI=1S/C19H25N3O5/c1-12(2)7-8-20-18(25)16(22-19(26)27-11-17(23)24)9-13-10-21-15-6-4-3-5-14(13)15/h3-6,10,12,16,21H,7-9,11H2,1-2H3,(H,20,25)(H,22,26)(H,23,24)/t16-/m0/s1
PubChem CID	44301763
ChEMBL	CHEMBL58605
IUPHAR	N/A
BindingDB	50289818
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	<10000.0 nM	, Bioorg. Med. Chem. Lett., (1997) 7:15:1957	BindingDB,ChEMBL

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