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Ligand

NameCHEMBL1165765
Molecular formulaC37H49N9O7S2
IUPAC name(4R,7S,10S,13S,16S,19R)-19-acetamido-10-(4-aminobutyl)-16-benzyl-13-(1H-indol-3-ylmethyl)-7-methyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight795.975
Hydrogen bond acceptor10
Hydrogen bond donor9
XlogP0.4
SynonymsBDBM50320473
Ac-[CFWKAC]-NH2
Inchi KeyMOJPOINJDNAUNK-RBKWUFDTSA-N
Inchi IDInChI=1S/C37H49N9O7S2/c1-21-33(49)46-30(32(39)48)19-54-55-20-31(42-22(2)47)37(53)44-28(16-23-10-4-3-5-11-23)35(51)45-29(17-24-18-40-26-13-7-6-12-25(24)26)36(52)43-27(34(50)41-21)14-8-9-15-38/h3-7,10-13,18,21,27-31,40H,8-9,14-17,19-20,38H2,1-2H3,(H2,39,48)(H,41,50)(H,42,47)(H,43,52)(H,44,53)(H,45,51)(H,46,49)/t21-,27-,28-,29-,30-,31-/m0/s1
PubChem CID10887289
ChEMBLCHEMBL1165765
IUPHARN/A
BindingDB50320473
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
210445Urotensin-2 receptorP49684Uts2rRattus norvegicus (Rat)386

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