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Ligand

NameAoct8,9,10
Molecular formulaC53H89N19O11S2
IUPAC name24-[[2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-3,12-bis[3-(diaminomethylideneamino)propyl]-6-[(4-hydroxyphenyl)methyl]-2,5,8,11,14,23,31-heptaoxo-9-propan-2-yl-26,27-dithia-1,4,7,10,13,22,30-heptazabicyclo[30.3.0]pentatriacontane-29-carboxamide
Molecular weight1232.54
Hydrogen bond acceptor16
Hydrogen bond donor16
XlogP-2.9
SynonymsBDBM85958
Inchi KeyGFGHDHZBDQPAKP-UHFFFAOYSA-N
Inchi IDInChI=1S/C53H89N19O11S2/c1-30(2)42-49(82)68-37(27-32-18-20-33(74)21-19-32)47(80)67-36(15-11-25-64-53(59)60)50(83)72-26-12-16-40(72)48(81)69-38(43(54)76)28-84-85-29-39(70-45(78)34(65-31(3)73)13-9-23-62-51(55)56)44(77)61-22-8-6-4-5-7-17-41(75)66-35(46(79)71-42)14-10-24-63-52(57)58/h18-21,30,34-40,42,74H,4-17,22-29H2,1-3H3,(H2,54,76)(H,61,77)(H,65,73)(H,66,75)(H,67,80)(H,68,82)(H,69,81)(H,70,78)(H,71,79)(H4,55,56,62)(H4,57,58,63)(H4,59,60,64)
PubChem CID57340386
ChEMBLN/A
IUPHARN/A
BindingDB85958
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
555825Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
95063Melanin-concentrating hormone receptor 2Q969V1MCHR2Homo sapiens (Human)340

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