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Ligand

NameCHEMBL407098
Molecular formulaC52H67N15O9S2
IUPAC name(4R,7R,10S,13R,16S,19S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-2-ylmethyl)-7-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacyclohenicosane-4-carboxamide
Molecular weight1110.32
Hydrogen bond acceptor14
Hydrogen bond donor14
XlogP-0.2
SynonymsBDBM50141041
H-D-Phe-c[Hcy-His-D-Phe-Arg-Trp-Cys]-Thr-NH2
Inchi KeyBZDZZDYEIZSVNL-XJUKQGPFSA-N
Inchi IDInChI=1S/C52H67N15O9S2/c1-29(68)43(44(54)69)67-51(76)41-28-78-77-22-18-37(61-45(70)34(53)23-30-11-4-2-5-12-30)47(72)65-40(26-42-57-20-21-58-42)50(75)63-38(24-31-13-6-3-7-14-31)48(73)62-36(17-10-19-59-52(55)56)46(71)64-39(49(74)66-41)25-32-27-60-35-16-9-8-15-33(32)35/h2-9,11-16,20-21,27,29,34,36-41,43,60,68H,10,17-19,22-26,28,53H2,1H3,(H2,54,69)(H,57,58)(H,61,70)(H,62,73)(H,63,75)(H,64,71)(H,65,72)(H,66,74)(H,67,76)(H4,55,56,59)/t29-,34-,36+,37+,38-,39-,40+,41+,43+/m1/s1
PubChem CID44285417
ChEMBLCHEMBL407098
IUPHARN/A
BindingDB50141041
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
36354Melanocyte-stimulating hormone receptorQ01726MC1RHomo sapiens (Human)317

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