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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03519744

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
OVA3,4-DIHYDROXY-2-METHOXY-4-METHYL-
3-[2-METHYL-3-(3-METHYL-BUT-2-ENYL) -
OXIRANYL]-CYCLOHEXANONE
A2GZ50.78
OVA3,4-DIHYDROXY-2-METHOXY-4-METHYL-
3-[2-METHYL-3-(3-METHYL-BUT-2-ENYL) -
OXIRANYL]-CYCLOHEXANONE
A1B590.78
B2S(3alpha,7alpha)-3,7,15-trihydroxy-
12,13-epoxytrichothec-9-en-8-one
A3B2S0.76
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.72
FOKFORSKOLINA,C3C160.7
FOKFORSKOLINA,C1CJU0.7
FOKFORSKOLINA,C1TL70.7
FOKFORSKOLINA,B1AB80.7
FOKFORSKOLINA,C3C140.7
FOKFORSKOLINA,C1CJT0.7
FOKFORSKOLINA,B,C1CUL0.7
FOKFORSKOLINA,C1CJV0.7
FOKFORSKOLINA,C3C150.7
FOKFORSKOLINA,C1U0H0.7
FOKFORSKOLINA,B,C1CS40.7
FOKFORSKOLINA,C1CJK0.7
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.71
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.71
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.71
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.71
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.71
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.7
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.7
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.7
C0RCORTICOSTERONEA2A3I0.71
C0RCORTICOSTERONEA,B1Y5R0.71
MOUA,B2NPF0.74
DEXDEXAMETHASONEA,D1M2Z0.71
DEXDEXAMETHASONEA,B,C,D1P930.71
GR4H,I1AWF0.74
0ASasiatic acidA2QN10.72
WINmethyl (5beta,7alpha,9beta,10alpha,11alpha,12alpha,13beta,15alpha)-
15-{[(2E)-3,4-dimethylpent-2-enoyl]oxy}-
3,11,12-trihydroxy-2,16-dioxo-13,20-
epoxypicras-3-en-21-oate
0,1,2,3,9,A,
B,C,F,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z
3G710.71
1CADESOXYCORTICOSTERONEA,B1Y9R0.71
1CADESOXYCORTICOSTERONEA,B,C2ABI0.71
1CADESOXYCORTICOSTERONEA2Q3Y0.71
1CADESOXYCORTICOSTERONEA2AA70.71
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A,B2VDY0.74
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A2V950.74
SXNSalinixanthinA,B3DDL0.75
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.7
GMMGLUCOSE MONOMYCOLATEA1UQS0.73
13T13-DEOXYTEDANOLIDE0,1,3,9,A,B,
C,H,J,K,L,M,
N,O,Q,R,S,T,
U,Y,Z
2OTJ0.7
ZK59ALPHA-FLUOROCORTISOLA1GS40.73
SIMSIMVASTATINA,B,C,D1HW90.71
ZBA12,13-Epoxytrichothec-9-ene-3,4,8,15-
tetrol-4,15-diacetate-8-isovalerate
A2RKV0.73
ZBA12,13-Epoxytrichothec-9-ene-3,4,8,15-
tetrol-4,15-diacetate-8-isovalerate
A,B,C,D2ZBA0.73
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
A,D1R1K0.72
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,U1Z5X0.72
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,F,G,H2NXX0.72
NTHSUCCINIC ACID MONO-(13-METHYL-3-
OXO-2,3,6,7,8,9,10,11,12,13,14,15,16,17-
TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-
17-YL) ESTER
A,B1BUQ0.71
PRB13-ACETYLPHORBOLA1PTR0.77