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Name | Neuromedin-B receptor |
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Species | Rattus norvegicus (Rat) |
Gene | Nmbr |
Synonym | BB1 BB1 receptor neuromedin B receptor neuromedin-B-preferring bombesin receptor NMB-R |
Disease | N/A for non-human GPCRs |
Length | 390 |
Amino acid sequence | MPPRSLPNLSLPTEASESELEPEVWENDFLPDSDGTTAELVIRCVIPSLYLIIISVGLLGNIMLVKIFLTNSTMRSVPNIFISNLAAGDLLLLLTCVPVDASRYFFDEWVFGKLGCKLIPAIQLTSVGVSVFTLTALSADRYRAIVNPMDMQTSGVVLWTSLKAVGIWVVSVLLAVPEAVFSEVARIGSSDNSSFTACIPYPQTDELHPKIHSVLIFLVYFLIPLVIISIYYYHIAKTLIRSAHNLPGEYNEHTKKQMETRKRLAKIVLVFVGCFVFCWFPNHILYLYRSFNYKEIDPSLGHMIVTLVARVLSFSNSCVNPFALYLLSESFRKHFNSQLCCGQKSYPERSTSYLLSSSAVRMTSLKSNAKNVVTNSVLLNGHSTKQEIAL |
UniProt | P24053 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL4440 |
IUPHAR | 38 |
DrugBank | N/A |
Name | CHEMBL3974250 |
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Molecular formula | C64H100N20O19S2 |
IUPAC name | (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-[[2-(dimethylamino)acetyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pentanediamide |
Molecular weight | 1517.74 |
Hydrogen bond acceptor | 23 |
Hydrogen bond donor | 21 |
XlogP | -5.1 |
Synonyms | N/A |
Inchi Key | XNRHGZCDDKNHLQ-LOBNYJLJSA-N |
Inchi ID | InChI=1S/C64H100N20O19S2/c1-32(2)18-42(59(98)77-40(54(66)93)16-17-104-9)79-60(99)44(20-37-22-67-30-71-37)74-50(90)24-70-64(103)53(33(3)4)83-55(94)34(5)73-58(97)43(19-36-21-68-39-13-11-10-12-38(36)39)80-57(96)41(14-15-49(65)89)78-63(102)47(28-87)81-61(100)45(26-85)75-51(91)23-69-56(95)48(29-105-31-72-35(6)88)82-62(101)46(27-86)76-52(92)25-84(7)8/h10-13,21-22,30,32-34,40-48,53,68,85-87H,14-20,23-29,31H2,1-9H3,(H2,65,89)(H2,66,93)(H,67,71)(H,69,95)(H,70,103)(H,72,88)(H,73,97)(H,74,90)(H,75,91)(H,76,92)(H,77,98)(H,78,102)(H,79,99)(H,80,96)(H,81,100)(H,82,101)(H,83,94)/t34-,40-,41-,42-,43-,44-,45-,46-,47-,48-,53-/m0/s1 |
PubChem CID | 134154031 |
ChEMBL | CHEMBL3974250 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 10.4 nM | None | ChEMBL |
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