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BDBM50229337 CHEMBL3706384

SMILES: [K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[H][C@@]12OC(COS([O-])(=O)=O)[C@@]([H])(O[C@@]3([H])OC(COS([O-])(=O)=O)[C@@]([H])(O[C@]4([H])OC(COS([O-])(=O)=O)[C@@]([H])(O[C@@]5([H])OC(COS([O-])(=O)=O)[C@@]([H])(O[C@@]6([H])OC(COS([O-])(=O)=O)[C@@]([H])(O[C@@]7([H])OC(COS([O-])(=O)=O)[C@@]([H])(O[C@@]8([H])OC(COS(=O)(=O)c9c(C)cc(C)cc9C)[C@@]([H])(O1)C(O)C8OS([O-])(=O)=O)C(O)C7OS([O-])(=O)=O)C(OS([O-])(=O)=O)C6OS([O-])(=O)=O)C(O)C5OS([O-])(=O)=O)C(OS([O-])(=O)=O)C4OS([O-])(=O)=O)C(OS([O-])(=O)=O)C3OS([O-])(=O)=O)C(O)C2OS([O-])(=O)=O

InChI Key: InChIKey=UEWXQHCGNXMDSC-WJHQLHKRSA-A

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50229337   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50229337
PNG
(CHEMBL3706384)
Show SMILES [K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].Cc1cc(C)c(c(C)c1)S(=O)(=O)OCC1O[C@@H]2O[C@@H]3C(COS([O-])(=O)=O)O[C@H](O[C@@H]4C(COS([O-])(=O)=O)O[C@H](O[C@@H]5C(COS([O-])(=O)=O)O[C@H](O[C@@H]6C(COS([O-])(=O)=O)O[C@@H](O[C@@H]7C(COS([O-])(=O)=O)O[C@H](O[C@@H]8C(COS([O-])(=O)=O)O[C@H](O[C@H]1C(O)C2OS([O-])(=O)=O)C(OS([O-])(=O)=O)C8O)C(OS([O-])(=O)=O)C7OS([O-])(=O)=O)C(OS([O-])(=O)=O)C6OS([O-])(=O)=O)C(OS([O-])(=O)=O)C5O)C(OS([O-])(=O)=O)C4OS([O-])(=O)=O)C(OS([O-])(=O)=O)C3O
Show InChI InChI=1S/C51H80O85S17.16K/c1-13-4-14(2)44(15(3)5-13)137(56,57)106-6-16-27-23(52)34(127-144(76,77)78)45(113-16)121-28-17(7-107-138(58,59)60)115-47(36(24(28)53)129-146(82,83)84)124-31-20(10-110-141(67,68)69)117-49(41(134-151(97,98)99)38(31)131-148(88,89)90)123-30-19(9-109-140(64,65)66)116-48(37(26(30)55)130-147(85,86)87)125-32-21(11-111-142(70,71)72)119-51(43(136-153(103,104)105)39(32)132-149(91,92)93)126-33-22(12-112-143(73,74)75)118-50(42(135-152(100,101)102)40(33)133-150(94,95)96)122-29-18(8-108-139(61,62)63)114-46(120-27)35(25(29)54)128-145(79,80)81;;;;;;;;;;;;;;;;/h4-5,16-43,45-55H,6-12H2,1-3H3,(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H,97,98,99)(H,100,101,102)(H,103,104,105);;;;;;;;;;;;;;;;/q;16*+1/p-16/t16?,17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27-,28-,29-,30-,31-,32-,33-,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,45-,46-,47-,48-,49-,50-,51+;;;;;;;;;;;;;;;;/m1................/s1
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Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Compound was tested for its direct effect on cell-free reverse transcriptase (RT) activity of HIV-1 (LAV-1)


J Med Chem 34: 2301-4 (1991)


Article DOI: 10.1021/jm00111a055
BindingDB Entry DOI: 10.7270/Q23X88WV
More data for this
Ligand-Target Pair