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Ligand

NameCHEMBL3315140
Molecular formulaC56H70N10O11S2
IUPAC name(2S)-2-[[(4R,7S,10S,13S,16S,19R)-10-(4-aminobutyl)-19-[[(2S)-2-amino-3-carboxypropanoyl]amino]-16-benzyl-13-(1H-indol-3-ylmethyl)-20,20-dimethyl-7-(naphthalen-2-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-methylbutanoic acid
Molecular weight1123.35
Hydrogen bond acceptor15
Hydrogen bond donor12
XlogP-0.7
SynonymsBDBM50048692
Inchi KeyDQNZFFAOHDGWLA-ZOZPRDFXSA-N
Inchi IDInChI=1S/C56H70N10O11S2/c1-31(2)46(55(76)77)65-53(74)44-30-78-79-56(3,4)47(66-48(69)38(58)28-45(67)68)54(75)63-41(25-32-14-6-5-7-15-32)50(71)62-43(27-36-29-59-39-19-11-10-18-37(36)39)52(73)60-40(20-12-13-23-57)49(70)61-42(51(72)64-44)26-33-21-22-34-16-8-9-17-35(34)24-33/h5-11,14-19,21-22,24,29,31,38,40-44,46-47,59H,12-13,20,23,25-28,30,57-58H2,1-4H3,(H,60,73)(H,61,70)(H,62,71)(H,63,75)(H,64,72)(H,65,74)(H,66,69)(H,67,68)(H,76,77)/t38-,40-,41-,42-,43-,44-,46-,47+/m0/s1
PubChem CID118708005
ChEMBLCHEMBL3315140
IUPHARN/A
BindingDB50048692
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
444307Urotensin-2 receptorP49684Uts2rRattus norvegicus (Rat)386
444308Urotensin-2 receptorQ9UKP6UTS2RHomo sapiens (Human)389

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