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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	CHEMBL301636
Molecular formula	C26H31N5O3
IUPAC name	4-aminobutyl N-[(2S)-3-(1H-indol-3-yl)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]carbamate
Molecular weight	461.566
Hydrogen bond acceptor	4
Hydrogen bond donor	5
XlogP	2.8
Synonyms	BDBM50289810 {(S)-2-(1H-Indol-3-yl)-1-[2-(1H-indol-3-yl)-ethylcarbamoyl]-ethyl}-carbamic acid 4-amino-butyl ester
Inchi Key	FBJCBOPNWSSQBZ-DEOSSOPVSA-N
Inchi ID	InChI=1S/C26H31N5O3/c27-12-5-6-14-34-26(33)31-24(15-19-17-30-23-10-4-2-8-21(19)23)25(32)28-13-11-18-16-29-22-9-3-1-7-20(18)22/h1-4,7-10,16-17,24,29-30H,5-6,11-15,27H2,(H,28,32)(H,31,33)/t24-/m0/s1
PubChem CID	44301811
ChEMBL	CHEMBL301636
IUPHAR	N/A
BindingDB	50289810
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	8900.0 nM	, Bioorg. Med. Chem. Lett., (1997) 7:15:1957	BindingDB,ChEMBL

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