You can:
Name | Bombesin, SAP |
---|---|
Molecular formula | C74H108N24O19S |
IUPAC name | (2S)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-4-amino-1-[[(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]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanediamide |
Molecular weight | 1669.89 |
Hydrogen bond acceptor | 22 |
Hydrogen bond donor | 23 |
XlogP | -5.6 |
Synonyms | CAS_31362-50-2 BDBM85478 |
Inchi Key | UUBUCYOBTKDPJG-XYGXGXKZSA-N |
Inchi ID | InChI=1S/C74H108N24O19S/c1-37(2)26-49(94-72(116)54(35-99)97-66(110)48(18-21-56(76)101)92-64(108)46-19-22-58(103)87-46)63(107)84-33-59(104)89-53(30-57(77)102)71(115)93-47(17-20-55(75)100)65(109)96-51(28-40-31-83-43-15-10-9-14-42(40)43)69(113)91-45(16-11-24-82-74(79)80)67(111)98-61(38(3)4)73(117)85-34-60(105)88-52(29-41-32-81-36-86-41)70(114)95-50(27-39-12-7-6-8-13-39)68(112)90-44(62(78)106)23-25-118-5/h6-10,12-15,31-32,36-38,44-54,61,83,99H,11,16-30,33-35H2,1-5H3,(H2,75,100)(H2,76,101)(H2,77,102)(H2,78,106)(H,81,86)(H,84,107)(H,85,117)(H,87,103)(H,88,105)(H,89,104)(H,90,112)(H,91,113)(H,92,108)(H,93,115)(H,94,116)(H,95,114)(H,96,109)(H,97,110)(H,98,111)(H4,79,80,82)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,61-/m0/s1 |
PubChem CID | 91898964 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 85478 |
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. |
You can:
GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
345650 | Bombesin receptor subtype-3 | P32247 | BRS3 | Homo sapiens (Human) | 399 |
345651 | Neuromedin-B receptor | P24053 | Nmbr | Rattus norvegicus (Rat) | 390 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218