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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 | CHEMBL217438 |
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Molecular formula | C63H73N11O9S2 |
IUPAC name | (4R,7S,10R,13S,16R,19S)-10-(4-aminobutyl)-N-[(2S)-1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl]-19-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide |
Molecular weight | 1192.46 |
Hydrogen bond acceptor | 13 |
Hydrogen bond donor | 12 |
XlogP | 5.9 |
Synonyms | BDBM50063814 H-DNal-cyclo[DCys-Tyr-DTrp-Lys-Val-Cys]-DNal-NH2 H-DNal-cyclo[DCys-Tyr-DTrp-Lys-Val-Cys]-Nal-NH2 H-DNal-cyclo[Cys-Tyr-DTrp-Lys-Val-DCys]-Nal-NH2 H-Nal-cyclo[DCys-Tyr-DTrp-Lys-Val-Cys]-Nal-NH2 |
Inchi Key | WASLGBPOQJKRMS-IBIOXKAYSA-N |
Inchi ID | InChI=1S/C63H73N11O9S2/c1-36(2)55-63(83)73-54(61(81)69-50(56(66)76)31-39-19-23-41-12-4-6-14-43(41)28-39)35-85-84-34-53(72-57(77)47(65)29-38-18-22-40-11-3-5-13-42(40)27-38)62(82)70-51(30-37-20-24-45(75)25-21-37)59(79)71-52(32-44-33-67-48-16-8-7-15-46(44)48)60(80)68-49(58(78)74-55)17-9-10-26-64/h3-8,11-16,18-25,27-28,33,36,47,49-55,67,75H,9-10,17,26,29-32,34-35,64-65H2,1-2H3,(H2,66,76)(H,68,80)(H,69,81)(H,70,82)(H,71,79)(H,72,77)(H,73,83)(H,74,78)/t47-,49-,50+,51-,52+,53-,54+,55+/m1/s1 |
PubChem CID | 44270222 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50063814 |
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. This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 220.0 nM | PMID10353842 | BindingDB |
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