HRID1244184

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1

HCID5886

Adenosine 5′-(trihydrogen diphosphate), 2′-(dihydrogen phosphate), P′→5′-ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium

C21H29N7O17P3+

结构：CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1

HCID126941

Methotrexate

C20H22N8O5

结构：Nc1nc2c(c(=O)[nH]1)N=C(CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)CN2

HCID135398604

Dihydrofolic acid

C19H21N7O6

PRODUCTS

生成物

结构：Nc1nc2ncc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)nc2c(=O)[nH]1

HCID135398658

未命名化合物

PROCEDURE

实验过程

Each assay sample contained 12 μL of protein stock solution (2 mg/mL), 4.8 uL of either dihydrofolic acid (FAH2) or methotrexate stock solution (1 mM), and 31.2 μL of a solution of 154 μM Dapoxyl™ 12800 in Buffer A. Each sample contained 12 μL of protein stock solution (2 mgs/mL), 4.8 uL of NADP stock solution (50 mM), and 31.2 μL of a solution of 154 μM Dapoxyl™ 12800 in Buffer A.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-916c0dd432ea46489c14636a016b8f89
来源数据集: uspto-grants-2006_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07122321B2
来源说明: uspto-grants-2006_10

反应 SMILES

[C:1]([OH:32])(=[O:31])[CH2:2][CH2:3][C@H:4]([NH:8][C:9]([C:11]1[CH:30]=[CH:29][C:14]([NH:15][CH2:16][C:17]2[CH2:18][NH:19][C:20]3[N:21]=[C:22]([NH:24][C:25]([C:27]=3[N:28]=2)=[O:26])[NH2:23])=[CH:13][CH:12]=1)=[O:10])[C:5]([OH:7])=[O:6].CN(C1C=CC(C(N[C@H](C(O)=O)CCC(O)=O)=O)=CC=1)CC1C=NC2N=C(N)N=C(N)C=2N=1.C1C=[N+]([C@@H]2O[C@H](COP(OP(OC[C@H]3O[C@@H](N4C5N=CN=C(N)C=5N=C4)[C@H](OP(O)(O)=O)[C@@H]3O)(O)=O)(O)=O)[C@@H](O)[C@H]2O)C=C(C(N)=O)C=1>>[C:1]([OH:32])(=[O:31])[CH2:2][CH2:3][C@H:4]([NH:8][C:9]([C:11]1[CH:12]=[CH:13][C:14]([NH:15][CH2:16][C:17]2[N:28]=[C:27]3[C:20]([N:21]=[C:22]([NH:24][C:25]3=[O:26])[NH2:23])=[N:19][CH:18]=2)=[CH:29][CH:30]=1)=[O:10])[C:5]([OH:7])=[O:6]