You can:
Name | GalB2 |
---|---|
Molecular formula | C104H173N23O23 |
IUPAC name | (2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-(methylamino)acetyl]amino]propanoyl]amino]butanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]hexanoyl]amino]-6-(hexadecanoylamino)hexanoyl]amino]hexanoic acid |
Molecular weight | 2113.67 |
Hydrogen bond acceptor | 27 |
Hydrogen bond donor | 26 |
XlogP | 2.9 |
Synonyms | D02JQP CHEMBL578514 BDBM50307250 |
Inchi Key | DWLPZUABYQBJIQ-CMDPNKGGSA-N |
Inchi ID | InChI=1S/C104H173N23O23/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-42-86(132)110-50-33-29-39-74(95(140)120-76(104(149)150)40-28-32-49-107)118-93(138)73(37-26-30-47-105)117-94(139)75(38-27-31-48-106)119-102(147)84-41-34-51-127(84)89(135)61-113-92(137)77(52-63(2)3)121-96(141)78(53-64(4)5)122-98(143)80(55-68-43-45-70(130)46-44-68)115-88(134)60-112-91(136)66(8)114-101(146)83(62-128)125-99(144)82(57-85(108)131)123-97(142)79(54-65(6)7)124-103(148)90(67(9)129)126-100(145)81(116-87(133)59-109-10)56-69-58-111-72-36-25-24-35-71(69)72/h24-25,35-36,43-46,58,63-67,73-84,90,109,111,128-130H,11-23,26-34,37-42,47-57,59-62,105-107H2,1-10H3,(H2,108,131)(H,110,132)(H,112,136)(H,113,137)(H,114,146)(H,115,134)(H,116,133)(H,117,139)(H,118,138)(H,119,147)(H,120,140)(H,121,141)(H,122,143)(H,123,142)(H,124,148)(H,125,144)(H,126,145)(H,149,150)/t66-,67+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,90-/m0/s1 |
PubChem CID | 24760995 |
ChEMBL | CHEMBL578514 |
IUPHAR | N/A |
BindingDB | 50307250 |
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 |
---|---|---|---|---|---|
70686 | Galanin receptor type 1 | P47211 | GALR1 | Homo sapiens (Human) | 349 |
70685 | Galanin receptor type 2 | O43603 | GALR2 | Homo sapiens (Human) | 387 |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417