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Name | Neuromedin-B receptor |
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Species | Homo sapiens (Human) |
Gene | NMBR |
Synonym | BB1 receptor Epididymis tissue protein Li 185a BB1 neuromedin-B-preferring bombesin receptor NMB-R [ 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 |
Name | CHEMBL59055 |
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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 | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 3500.0 nM | , Bioorg. Med. Chem. Lett., (1997) 7:15:1957 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417