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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 | CHEMBL3980433 |
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Molecular formula | C67H106N20O17S |
IUPAC name | 2-[4-[2-[2-[4-[2-[[(2S)-5-amino-1-[[(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]amino]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]ethylamino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid |
Molecular weight | 1495.77 |
Hydrogen bond acceptor | 25 |
Hydrogen bond donor | 16 |
XlogP | -9.0 |
Synonyms | N/A |
Inchi Key | VSBYFTODSOFZKG-DNCOJZTMSA-N |
Inchi ID | InChI=1S/C67H106N20O17S/c1-41(2)29-50(65(102)78-48(61(69)98)13-28-105-6)79-66(103)52(31-45-33-70-40-74-45)77-54(89)34-73-67(104)60(42(3)4)81-62(99)43(5)75-64(101)51(30-44-32-72-47-10-8-7-9-46(44)47)80-63(100)49(11-12-53(68)88)76-56(91)36-84-18-16-82(17-19-84)15-14-71-55(90)35-83-20-22-85(37-57(92)93)24-26-87(39-59(96)97)27-25-86(23-21-83)38-58(94)95/h7-10,32-33,40-43,48-52,60,72H,11-31,34-39H2,1-6H3,(H2,68,88)(H2,69,98)(H,70,74)(H,71,90)(H,73,104)(H,75,101)(H,76,91)(H,77,89)(H,78,102)(H,79,103)(H,80,100)(H,81,99)(H,92,93)(H,94,95)(H,96,97)/t43-,48-,49-,50-,51-,52-,60-/m0/s1 |
PubChem CID | 134157223 |
ChEMBL | CHEMBL3980433 |
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 | 114.0 nM | None | ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218