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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03581950

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE
A,B,E1R8Q0.72
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE
A1RE00.72
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE
A,E1S9D0.72
GR4H,I1AWF0.7
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
3G710.78
RGCREIDISPONGIOLIDE CA2ASP0.75
TESTESTOSTERONEA1JTV0.72
TESTESTOSTERONEA2Q7L0.72
TESTESTOSTERONEA2Q7I0.72
TESTESTOSTERONEA,B1J960.72
TESTESTOSTERONEA2Q7K0.72
TESTESTOSTERONEA,B1Q130.72
TESTESTOSTERONEH1I9J0.72
TESTESTOSTERONEA,B1AFS0.72
TESTESTOSTERONEH1VPO0.72
TESTESTOSTERONEA2Q7J0.72
TESTESTOSTERONEA,B3BUR0.72
TESTESTOSTERONEA2AM90.72
FOKFORSKOLINA,C3C160.73
FOKFORSKOLINA,C1CJU0.73
FOKFORSKOLINA,C1TL70.73
FOKFORSKOLINA,B1AB80.73
FOKFORSKOLINA,C3C140.73
FOKFORSKOLINA,C1CJT0.73
FOKFORSKOLINA,B,C1CUL0.73
FOKFORSKOLINA,C1CJV0.73
FOKFORSKOLINA,C3C150.73
FOKFORSKOLINA,C1U0H0.73
FOKFORSKOLINA,B,C1CS40.73
FOKFORSKOLINA,C1CJK0.73
1CADESOXYCORTICOSTERONEA,B1Y9R0.7
1CADESOXYCORTICOSTERONEA,B,C2ABI0.7
1CADESOXYCORTICOSTERONEA2Q3Y0.7
1CADESOXYCORTICOSTERONEA2AA70.7
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.76
FUAFUSIDIC ACIDA1QCA0.78
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.78
FUAFUSIDIC ACIDA,B2VUF0.78
8PG(8S,12S)-15S-HYDROXY-9-OXOPROSTA-
10Z,13E-DIEN-1-OIC ACID
A,B2G5W0.71
SIMSIMVASTATINA,B,C,D1HW90.74
CBOCARBENOXOLONEA,B,C,D1HDC0.74
CBOCARBENOXOLONEA,B,C,D2BEL0.74
DOGDIGOXIGENINA1LKE0.76
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.77
GR33-ACETOXY-17-(1-FORMYL-5-METHYL-
3-OXO-HEX-4-ENYL)-16-HYDROXY-4,10,13,14-
TETRAMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-
TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-
4-CARBOXYLIC ACID
B,D1AWH0.75
GA3GIBBERELLIN A3A2ZSH0.77
GA3GIBBERELLIN A3A,B,C,D,E,F3ED10.77
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.78
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.78
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.78
TG1A,B2AGV0.74
TG1A2ZBF0.74
TG1A2ZBG0.74
TG1A,B,C,D1WPG0.74
TG1A2C8L0.74
TG1A2EAR0.74
TG1A,B1IWO0.74
TG1A2C880.74
TG1A2DQS0.74
TG1A2C8K0.74
TG1A1XP50.74
TG1A2EAT0.74
LVA(3R,5R)-7-((1R,2R,6S,8R,8AS)-2,6-
DIMETHYL-8-{[(2R)-2-METHYLBUTANOYL]OXY}-
1,2,6,7,8,8A-HEXAHYDRONAPHTHALEN-
1-YL)-3,5-DIHYDROXYHEPTANOIC ACID
A,B1T020.72
114COMPACTINA,B,C,D1HW80.72
C0RCORTICOSTERONEA2A3I0.71
C0RCORTICOSTERONEA,B1Y5R0.71
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EAU0.74
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB30.74
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB40.74
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B2AAX0.74
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A1H610.74
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B3CMF0.74
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A2Q1V0.74
DEXDEXAMETHASONEA,D1M2Z0.74
DEXDEXAMETHASONEA,B,C,D1P930.74
FUGFUMAGILLINA,B3FMQ0.73
FUGFUMAGILLINA1BOA0.73
ZK59ALPHA-FLUOROCORTISOLA1GS40.72
2OBCHOLESTERYL OLEATEA2OBD0.7
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
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.72
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.72
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.72
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.72
SRNSORANGICIN AC,D1YNJ0.72
DTXDIGITOXIGENINA1LNM0.75
CLLCHOLESTERYL LINOLEATEA,B1CLE0.7
PRB13-ACETYLPHORBOLA1PTR0.78
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,B1BUQ0.79
MRCMUPIROCINA1JZS0.73
MRCMUPIROCINA,T1FFY0.73
MRCMUPIROCINA1QU30.73
MRCMUPIROCINA,T1QU20.73
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
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.7
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.7
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.7
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.7
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.7
SXNSalinixanthinA,B3DDL0.72
PIDPERIDININA2C9E0.74
PIDPERIDININM,N,O1PPR0.74
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
A,D1R1K0.77
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,U1Z5X0.77
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,F,G,H2NXX0.77
B2S(3alpha,7alpha)-3,7,15-trihydroxy-
12,13-epoxytrichothec-9-en-8-one
A3B2S0.75