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Ligand

NameCHEMBL1163473
Molecular formulaC46H59N9O9S2
IUPAC name(2S)-2-[[(4R,7S,10S,13S,16S,19R)-19-amino-10-(4-aminobutyl)-16-benzyl-7-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-methylbutanoic acid
Molecular weight946.152
Hydrogen bond acceptor13
Hydrogen bond donor11
XlogP0.5
SynonymsBDBM50320464
[CFWKYC]V
Inchi KeyCDZMIZGQMXJALK-YRVFCXMDSA-N
Inchi IDInChI=1S/C46H59N9O9S2/c1-26(2)39(46(63)64)55-45(62)38-25-66-65-24-32(48)40(57)51-35(20-27-10-4-3-5-11-27)42(59)53-37(22-29-23-49-33-13-7-6-12-31(29)33)44(61)50-34(14-8-9-19-47)41(58)52-36(43(60)54-38)21-28-15-17-30(56)18-16-28/h3-7,10-13,15-18,23,26,32,34-39,49,56H,8-9,14,19-22,24-25,47-48H2,1-2H3,(H,50,61)(H,51,57)(H,52,58)(H,53,59)(H,54,60)(H,55,62)(H,63,64)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
PubChem CID10898324
ChEMBLCHEMBL1163473
IUPHARN/A
BindingDB50320464
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
39702Urotensin-2 receptorP49684Uts2rRattus norvegicus (Rat)386

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