Index |
UniProt Accession |
Gene Name |
Confidence Level
|
SMILES |
InChI |
InChI Key |
Molecular Formula |
Molecular Weight |
Classification
|
1 |
P04637 |
TP53 |
1 |
CC(OCN1C(C=CC1=O)=O)=O |
1S/C7H7NO4/c1-5(9)12-4-8-6(10)2-3-7(8)11/h2-3H,4H2,1H3 |
YJMUOPDZZMNVMR-UHFFFAOYSA-N |
C7H7NO4 |
169.14 |
inhibitor |
2 |
P04637 |
TP53 |
1 |
O=C1C(CO)(CO)N2CCC1CC2 |
1S/C9H15NO3/c11-5-9(6-12)8(13)7-1-3-10(9)4-2-7/h7,11-12H,1-6H2 |
RFBVBRVVOPAAFS-UHFFFAOYSA-N |
C9H15NO3 |
185.22 |
activator |
3 |
P04637 |
TP53 |
1 |
OCC1(COC)N2CCC(CC2)C1=O |
1S/C10H17NO3/c1-14-7-10(6-12)9(13)8-2-4-11(10)5-3-8/h8,12H,2-7H2,1H3 |
BGBNULCRKBVAKL-UHFFFAOYSA-N |
C10H17NO3 |
199.25 |
activator |
4 |
P04637 |
TP53 |
1 |
S=C(N(C)C)N/N=C(C)/C1=NC=CC=C1 |
1S/C10H14N4S/c1-8(9-6-4-5-7-11-9)12-13-10(15)14(2)3/h4-7H,1-3H3,(H,13,15)/b12-8+ |
ZMZIYBQONAEPNV-XYOKQWHBSA-N |
C10H14N4S |
222.32 |
inhibitor |
5 |
P04637 |
TP53 |
1 |
S=C(N1CCC1)N/N=C(C)/C2=NC=CC=C2 |
1S/C11H14N4S/c1-9(10-5-2-3-6-12-10)13-14-11(16)15-7-4-8-15/h2-3,5-6H,4,7-8H2,1H3,(H,14,16)/b13-9+ |
XDHBUMNIQRLHGO-UKTHLTGXSA-N |
C11H14N4S |
234.33 |
inhibitor |
6 |
P04637 |
TP53 |
1 |
CNCC1=CC2=C(C=C1)N(CC)C3=CC=CC=C32 |
1S/C16H18N2/c1-3-18-15-7-5-4-6-13(15)14-10-12(11-17-2)8-9-16(14)18/h4-10,17H,3,11H2,1-2H3 |
LBPNOEAFWYTTEB-UHFFFAOYSA-N |
C16H18N2 |
238.33 |
inhibitor |
7 |
P04637 |
TP53 |
1 |
OCC(S1)=CC=C1C2=CC=C(C3=CC=C(CO)S3)O2 |
1S/C14H12O3S2/c15-7-9-1-5-13(18-9)11-3-4-12(17-11)14-6-2-10(8-16)19-14/h1-6,15-16H,7-8H2 |
KZENBFUSKMWCJF-UHFFFAOYSA-N |
C14H12O3S2 |
292.38 |
activator |
8 |
P04637 |
TP53 |
1 |
S=C(N/N=C1C(N=CC=C2)=C2CCC\1)N(CC3)CCN3C4=NC=CC=C4 |
1S/C19H22N6S/c26-19(23-22-16-7-3-5-15-6-4-10-21-18(15)16)25-13-11-24(12-14-25)17-8-1-2-9-20-17/h1-2,4,6,8-10H,3,5,7,11-14H2,(H,23,26)/b22-16- |
UTDAKQMBNSHJJB-JWGURIENSA-N |
C19H22N6S |
366.49 |
inhibitor |
9 |
P04637 |
TP53 |
1 |
[Se]=C(NC1CCN(C2=NC=CC=C2)CC1)N/N=C(C)/C3=NC=CC=C3 |
1S/C18H22N6Se/c1-14(16-6-2-4-10-19-16)22-23-18(25)21-15-8-12-24(13-9-15)17-7-3-5-11-20-17/h2-7,10-11,15H,8-9,12-13H2,1H3,(H2,21,23,25)/b22-14+ |
VRHLIZFNZKLAIL-HYARGMPZSA-N |
C18H22N6Se |
401.38 |
inhibitor |
10 |
P04637 |
TP53 |
1 |
FC1=CC=CC(F)=C1N[C@]2(CC3=CC(Cl)=CC=C3)C4=CC=C(Cl)C=C4NC2=O |
1S/C21H14Cl2F2N2O/c22-13-4-1-3-12(9-13)11-21(27-19-16(24)5-2-6-17(19)25)15-8-7-14(23)10-18(15)26-20(21)28/h1-10,27H,11H2,(H,26,28)/t21-/m1/s1 |
FUFYOQRYQLCEGB-OAQYLSRUSA-N |
C21H14Cl2F2N2O |
419.26 |
inhibitor |