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Ligand

NameViral macrophage inflammatory protein-II
Molecular formulaC55H93N19O14S2
IUPAC name(4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-34-amino-22-(4-aminobutyl)-10-(3-amino-3-oxopropyl)-31-benzyl-13,19-bis[3-(diaminomethylideneamino)propyl]-25-[(1R)-1-hydroxyethyl]-28-(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacontane-4-carboxylic acid
Molecular weight1308.59
Hydrogen bond acceptor20
Hydrogen bond donor19
XlogP-6.2
SynonymsCFLTKRGRQVC
vMIP-II
AC1LAF0N
D09PZD
GTPL768
[ Show all ]
Inchi KeyJOEHPBQVSCDCHE-BKGQOYFSSA-N
Inchi IDInChI=1S/C55H93N19O14S2/c1-28(2)23-37-50(84)74-43(30(5)75)52(86)69-35(15-9-10-20-56)47(81)67-33(16-11-21-63-54(59)60)45(79)65-25-41(77)66-34(17-12-22-64-55(61)62)46(80)68-36(18-19-40(58)76)48(82)73-42(29(3)4)51(85)72-39(53(87)88)27-90-89-26-32(57)44(78)70-38(49(83)71-37)24-31-13-7-6-8-14-31/h6-8,13-14,28-30,32-39,42-43,75H,9-12,15-27,56-57H2,1-5H3,(H2,58,76)(H,65,79)(H,66,77)(H,67,81)(H,68,80)(H,69,86)(H,70,78)(H,71,83)(H,72,85)(H,73,82)(H,74,84)(H,87,88)(H4,59,60,63)(H4,61,62,64)/t30-,32+,33+,34+,35+,36+,37+,38+,39+,42+,43+/m1/s1
PubChem CID486830
ChEMBLN/A
IUPHAR768
BindingDBN/A
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
554054C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355
554055C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
554056C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352
554058C-C chemokine receptor type 8P51685CCR8Homo sapiens (Human)355
554057C-X-C chemokine receptor type 4P61073CXCR4Homo sapiens (Human)352

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