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BDBM50229334 CHEMBL3706385

SMILES: [K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[H][C@@]12OC(CSCc3ccccc3)[C@@]([H])(O[C@@]3([H])OC(COS([O-])(=O)=O)[C@@]([H])(O[C@@]4([H])OC(CSCc5ccccc5)[C@@]([H])(O[C@]5([H])OC(COS([O-])(=O)=O)[C@@]([H])(O[C@@]6([H])OC(CSCc7ccccc7)[C@@]([H])(O[C@@]7([H])OC(COS([O-])(=O)=O)[C@@]([H])(O[C@@]8([H])OC(COS([O-])(=O)=O)[C@@]([H])(O1)C(OS([O-])(=O)=O)C8OS([O-])(=O)=O)C(OS([O-])(=O)=O)C7OS([O-])(=O)=O)C(OS([O-])(=O)=O)C6OS([O-])(=O)=O)C(OS([O-])(=O)=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=YECGYCUCXHNNBJ-ZXFXJRJFSA-A

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50229334   
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)
BDBM50229334
PNG
(CHEMBL3706385)
Show SMILES [K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].OC1C(OS([O-])(=O)=O)[C@@H]2OC(CSCc3ccccc3)[C@H]1O[C@H]1OC(COS([O-])(=O)=O)[C@@H](O[C@H]3OC(CSCc4ccccc4)[C@@H](O[C@@H]4OC(COS([O-])(=O)=O)[C@@H](O[C@H]5OC(CSCc6ccccc6)[C@@H](O[C@H]6OC(COS([O-])(=O)=O)[C@@H](O[C@H]7OC(COS([O-])(=O)=O)[C@@H](O2)C(OS([O-])(=O)=O)C7OS([O-])(=O)=O)C(OS([O-])(=O)=O)C6OS([O-])(=O)=O)C(OS([O-])(=O)=O)C5OS([O-])(=O)=O)C(OS([O-])(=O)=O)C4OS([O-])(=O)=O)C(OS([O-])(=O)=O)C3OS([O-])(=O)=O)C(OS([O-])(=O)=O)C1OS([O-])(=O)=O
Show InChI InChI=1S/C63H88O83S20.17K/c64-36-37-33(23-147-20-26-10-4-1-5-11-26)124-57(44(36)134-154(77,78)79)128-38-29(16-116-150(65,66)67)121-59(52(142-162(101,102)103)45(38)135-155(80,81)82)129-39-31(18-118-152(71,72)73)122-60(53(143-163(104,105)106)47(39)137-157(86,87)88)132-42-35(25-149-22-28-14-8-3-9-15-28)126-63(56(146-166(113,114)115)50(42)140-160(95,96)97)131-41-32(19-119-153(74,75)76)123-61(54(144-164(107,108)109)48(41)138-158(89,90)91)133-43-34(24-148-21-27-12-6-2-7-13-27)125-62(55(145-165(110,111)112)49(43)139-159(92,93)94)130-40-30(17-117-151(68,69)70)120-58(127-37)51(141-161(98,99)100)46(40)136-156(83,84)85;;;;;;;;;;;;;;;;;/h1-15,29-64H,16-25H2,(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H,95,96,97)(H,98,99,100)(H,101,102,103)(H,104,105,106)(H,107,108,109)(H,110,111,112)(H,113,114,115);;;;;;;;;;;;;;;;;/q;17*+1/p-17/t29?,30?,31?,32?,33?,34?,35?,36?,37-,38-,39-,40-,41-,42-,43-,44?,45?,46?,47?,48?,49?,50?,51?,52?,53?,54?,55?,56?,57-,58-,59-,60-,61+,62-,63-;;;;;;;;;;;;;;;;;/m1................./s1
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Similars

Article
PubMed
n/an/a 630n/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