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Ligand

NameCHEMBL475845
Molecular formulaC27H40N4O8S
IUPAC name(2S)-2-[(2S,5S,8S,11S)-5-benzyl-8,11-bis[(2S)-butan-2-yl]-3,6,9,12-tetraoxo-1,4,7,10-tetrazacyclododec-2-yl]-3-oxobutane-1-sulfonic acid
Molecular weight580.697
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP1.4
SynonymsCyclo[L-Ile-[(3S)-3-(sulfomethyl)-4-oxo-L-Nva-]L-Phe-L-Ile-]
(S)-2-((2S,5S,8S,11S)-5-benzyl-8,11-di-sec-butyl-3,6,9,12-tetraoxo-1,4,7,10-tetraazacyclododecan-2-yl)-3-oxobutane-1-sulfonic acid
BDBM50256664
Inchi KeyYWMWRRNNRCIAAJ-WGPXQLEISA-N
Inchi IDInChI=1S/C27H40N4O8S/c1-6-15(3)21-25(34)30-22(16(4)7-2)26(35)31-23(19(17(5)32)14-40(37,38)39)27(36)28-20(24(33)29-21)13-18-11-9-8-10-12-18/h8-12,15-16,19-23H,6-7,13-14H2,1-5H3,(H,28,36)(H,29,33)(H,30,34)(H,31,35)(H,37,38,39)/t15-,16-,19+,20-,21-,22-,23-/m0/s1
PubChem CID24886452
ChEMBLCHEMBL475845
IUPHARN/A
BindingDB50256664
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
420973Galanin receptor type 1Q62805Galr1Rattus norvegicus (Rat)346
420972Galanin receptor type 2O08726Galr2Rattus norvegicus (Rat)372

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