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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 | SCHEMBL1251567 |
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Molecular formula | C85H133N19O19S |
IUPAC name | 2-[4-[2-[[2-[[(3S,5R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-5-[[(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]-5-oxopentan-2-yl]-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid |
Molecular weight | 1757.17 |
Hydrogen bond acceptor | 25 |
Hydrogen bond donor | 18 |
XlogP | -3.7 |
Synonyms | CHEMBL3962308 |
Inchi Key | DWVPHTMQGGUZNH-NDQYMKKPSA-N |
Inchi ID | InChI=1S/C85H133N19O19S/c1-48(2)34-64(81(121)97-62(77(87)117)23-33-124-9)98-82(122)66(37-55-40-88-47-92-55)96-71(109)42-91-83(123)76(49(3)4)100-78(118)51(6)93-80(120)65(35-52-39-89-61-13-11-10-12-56(52)61)99-79(119)63(19-20-68(86)106)95-69(107)21-14-50(5)58-17-18-59-57-16-15-53-36-54(22-24-84(53,7)60(57)38-67(105)85(58,59)8)94-70(108)41-90-72(110)43-101-25-27-102(44-73(111)112)29-31-104(46-75(115)116)32-30-103(28-26-101)45-74(113)114/h10-13,39-40,47-51,53-54,57-60,62-67,76,89,105H,14-38,41-46H2,1-9H3,(H2,86,106)(H2,87,117)(H,88,92)(H,90,110)(H,91,123)(H,93,120)(H,94,108)(H,95,107)(H,96,109)(H,97,121)(H,98,122)(H,99,119)(H,100,118)(H,111,112)(H,113,114)(H,115,116)/t50-,51+,53-,54+,57+,58-,59+,60+,62+,63+,64+,65+,66+,67+,76+,84+,85-/m1/s1 |
PubChem CID | 87217686 |
ChEMBL | CHEMBL3962308 |
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 | 3.8 nM | None | ChEMBL |
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