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Ligand

NameGva6,Ava9,10
Molecular formulaC53H89N19O11S3
IUPAC name24-[5-(diaminomethylideneamino)pentanoylamino]-3,12-bis[3-(diaminomethylideneamino)propyl]-6-[(4-hydroxyphenyl)methyl]-21-(2-methylsulfanylethyl)-2,5,8,11,14,20,23,31-octaoxo-9-propan-2-yl-26,27-dithia-1,4,7,10,13,19,22,30-octazabicyclo[30.3.0]pentatriacontane-29-carboxamide
Molecular weight1264.6
Hydrogen bond acceptor17
Hydrogen bond donor16
XlogP-3.4
SynonymsBDBM85948
Inchi KeyIQVRKZINMYFHQU-UHFFFAOYSA-N
Inchi IDInChI=1S/C53H89N19O11S3/c1-30(2)42-49(82)69-36(27-31-16-18-32(73)19-17-31)46(79)68-35(12-9-24-64-53(59)60)50(83)72-25-10-13-39(72)48(81)70-37(43(54)76)28-85-86-29-38(66-41(75)15-5-7-22-62-51(55)56)47(80)67-34(20-26-84-3)44(77)61-21-6-4-14-40(74)65-33(45(78)71-42)11-8-23-63-52(57)58/h16-19,30,33-39,42,73H,4-15,20-29H2,1-3H3,(H2,54,76)(H,61,77)(H,65,74)(H,66,75)(H,67,80)(H,68,79)(H,69,82)(H,70,81)(H,71,78)(H4,55,56,62)(H4,57,58,63)(H4,59,60,64)
PubChem CID57340376
ChEMBLN/A
IUPHARN/A
BindingDB85948
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
556014Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
139685Melanin-concentrating hormone receptor 2Q969V1MCHR2Homo sapiens (Human)340

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