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Ligand

NameN-Me-Leu9
Molecular formulaC59H99N21O13S3
IUPAC name24-[[2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-3,12-bis[3-(diaminomethylideneamino)propyl]-6-[(4-hydroxyphenyl)methyl]-19-methyl-18-(2-methylpropyl)-21-(2-methylsulfanylethyl)-2,5,8,11,14,17,20,23,31-nonaoxo-9-propan-2-yl-26,27-dithia-1,4,7,10,13,16,19,22,30-nonazabicyclo[30.3.0]pentatriacontane-29-carboxamide
Molecular weight1406.76
Hydrogen bond acceptor19
Hydrogen bond donor17
XlogP-3.3
SynonymsBDBM85960
Inchi KeyGTEMIVAVIWWXJF-UHFFFAOYSA-N
Inchi IDInChI=1S/C59H99N21O13S3/c1-31(2)26-44-52(89)70-28-45(83)72-37(13-9-22-68-58(63)64)49(86)78-46(32(3)4)54(91)75-40(27-34-16-18-35(82)19-17-34)50(87)73-38(14-10-23-69-59(65)66)56(93)80-24-11-15-43(80)53(90)76-41(47(60)84)29-95-96-30-42(51(88)74-39(20-25-94-7)55(92)79(44)6)77-48(85)36(71-33(5)81)12-8-21-67-57(61)62/h16-19,31-32,36-44,46,82H,8-15,20-30H2,1-7H3,(H2,60,84)(H,70,89)(H,71,81)(H,72,83)(H,73,87)(H,74,88)(H,75,91)(H,76,90)(H,77,85)(H,78,86)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)
PubChem CID57340388
ChEMBLN/A
IUPHARN/A
BindingDB85960
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
555870Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
104778Melanin-concentrating hormone receptor 2Q969V1MCHR2Homo sapiens (Human)340

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