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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	CHEMBL57951
Molecular formula	C16H19N3O6
IUPAC name	2-[[(2S)-1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyloxy]acetic acid
Molecular weight	349.343
Hydrogen bond acceptor	6
Hydrogen bond donor	5
XlogP	0.1
Synonyms	BDBM50289802 [(S)-1-(2-Hydroxy-ethylcarbamoyl)-2-(1H-indol-3-yl)-ethylcarbamoyloxy]-acetic acid
Inchi Key	GXJKVZSLLCJJQR-ZDUSSCGKSA-N
Inchi ID	InChI=1S/C16H19N3O6/c20-6-5-17-15(23)13(19-16(24)25-9-14(21)22)7-10-8-18-12-4-2-1-3-11(10)12/h1-4,8,13,18,20H,5-7,9H2,(H,17,23)(H,19,24)(H,21,22)/t13-/m0/s1
PubChem CID	44301926
ChEMBL	CHEMBL57951
IUPHAR	N/A
BindingDB	50289802
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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