Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LB4Q5R
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| Ligand Name |
Adu-S100 free acid
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| Synonyms |
Adu-S100 free acid; Adu-S-100 free acid; NV32768L81; Cyclic (adenosine(2,5)phosphothiorate-adenosine(3,5)phosphothiorate)), (rp, rp); (1~{R},3~{S},6~{R},8~{R},9~{R},10~{S},12~{S},15~{R},17~{R},18~{R})-8,17-bis(6-aminopurin-9-yl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecane-9,18-diol; Adenosine, (p(R))-5'-O-((R)-hydroxymercaptophosphinyl)-p-thioadenylyl-(2'->5')-, cyclic nucleotide; GJF; CHEMBL4756726; SCHEMBL21118752; SCHEMBL22930771; MIW-815; HY-12885
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| Structure |
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Download2D MOL
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| Formula |
C20H24N10O10P2S2
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| Canonical SMILES |
C1C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)OP(=S)(OCC5C(C(C(O5)N6C=NC7=C(N=CN=C76)N)O)OP(=O)(O1)S)O)O
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| InChI |
1S/C20H24N10O10P2S2/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(32)13-8(38-19)2-36-42(34,44)40-14-11(31)7(1-35-41(33,43)39-13)37-20(14)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-32H,1-2H2,(H,33,43)(H,34,44)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-,41?,42?/m1/s1
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| InChIKey |
IZJJFUQKKZFVLH-ZILBRCNQSA-N
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| PubChem Compound ID | ||||
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