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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03377829

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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,D1AWH0.78
AS4ALDOSTERONEA2AA20.73
AS4ALDOSTERONEA2Q1H0.73
DOGDIGOXIGENINA1LKE0.94
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OT70.72
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OSV0.72
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
ZK59ALPHA-FLUOROCORTISOLA1GS40.76
OCC2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25-
DIHYDROXYVITAMIN D3		A2HAR0.7
GA3GIBBERELLIN A3A2ZSH0.75
GA3GIBBERELLIN A3A,B,C,D,E,F3ED10.75
S5H5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATEL2DBL0.7
TESTESTOSTERONEA1JTV0.78
TESTESTOSTERONEA2Q7L0.78
TESTESTOSTERONEA2Q7I0.78
TESTESTOSTERONEA,B1J960.78
TESTESTOSTERONEA2Q7K0.78
TESTESTOSTERONEA,B1Q130.78
TESTESTOSTERONEH1I9J0.78
TESTESTOSTERONEA,B1AFS0.78
TESTESTOSTERONEH1VPO0.78
TESTESTOSTERONEA2Q7J0.78
TESTESTOSTERONEA,B3BUR0.78
TESTESTOSTERONEA2AM90.78
B2S(3alpha,7alpha)-3,7,15-trihydroxy-
12,13-epoxytrichothec-9-en-8-one		A3B2S0.71
0MAmaslinic acidA2QN20.72
GR4H,I1AWF0.72
0ASasiatic acidA2QN10.74
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE		A1LHV0.72
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE		A,B3D900.72
CHDCHOLIC ACIDA,B2PNJ0.72
CHDCHOLIC ACIDA,B1HRK0.72
CHDCHOLIC ACIDA,B2PO70.72
CHDCHOLIC ACIDA2QO60.72
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z		1V550.72
CHDCHOLIC ACIDA2AZY0.72
CHDCHOLIC ACIDA,B,C2DQY0.72
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z		2EIN0.72
CHDCHOLIC ACIDA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z		2EIJ0.72
CHDCHOLIC ACIDA,B,C,D2QD10.72
CHDCHOLIC ACIDA2FT90.72
CHDCHOLIC ACIDA,B2HRC0.72
CHDCHOLIC ACIDA,B1TW40.72
CHDCHOLIC ACIDA,B2QD30.72
CHDCHOLIC ACIDA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z		1V540.72
CHDCHOLIC ACIDA2RLC0.72
CHDCHOLIC ACIDA,B1ON50.72
CHDCHOLIC ACIDA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z		2ZXW0.72
CHDCHOLIC ACIDA,B2QD40.72
CHDCHOLIC ACIDA2QO50.72
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2DYS0.72
CHDCHOLIC ACIDA,B2QD20.72
CHDCHOLIC ACIDA,B,C3ELZ0.72
CHDCHOLIC ACIDA,B2PO50.72
CHDCHOLIC ACIDA,B1S9Q0.72
CHDCHOLIC ACIDA,B1EE20.72
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2DYR0.72
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2EIM0.72
CHDCHOLIC ACIDA,B,C,D2HRE0.72
CHDCHOLIC ACIDA,B2QD50.72
CHDCHOLIC ACIDA,B3EM00.72
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2EIL0.72
CHDCHOLIC ACIDA2QO40.72
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z		2EIK0.72
FUAFUSIDIC ACIDA1QCA0.92
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1Q230.92
FUAFUSIDIC ACIDA,B2VUF0.92
COV(1S,3R,5Z,7E,14beta,17alpha)-17-
[(2S,4S)-4-(2-hydroxy-2-methylpropyl)-
2-methyltetrahydrofuran-2-yl]-9,10-
secoandrosta-5,7,10-triene-1,3-
diol		A3CS40.73
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one		A,B1SQN0.72
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one		A,B2W8Y0.72
GA4GIBBERELLIN A4A2ZSI0.72
GA4GIBBERELLIN A4A,B,C,D,E,F3EBL0.72
GA4GIBBERELLIN A4H,I1KFA0.72
IU5ISO-URSODEOXYCHOLIC ACIDA,B1IHI0.72
IU5ISO-URSODEOXYCHOLIC ACIDA,B1OT70.72
SIMSIMVASTATINA,B,C,D1HW90.7
OBNOUABAINH,L1IBG0.83
SNLSPIRONOLACTONEA,B2AB20.72
SNLSPIRONOLACTONEA,B,C,D,E,F2OAX0.72
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		3G710.75
RGCREIDISPONGIOLIDE CA2ASP0.7
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid		A3GYT0.77
JN3CHENODEOXYCHOLIC ACIDA2JN30.72
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE		A,D1R1K0.79
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE		E,U1Z5X0.79
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE		E,F,G,H2NXX0.79
C0RCORTICOSTERONEA2A3I0.76
C0RCORTICOSTERONEA,B1Y5R0.76
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.8
KH15-(2-{1-[1-(4-ETHYL-4-HYDROXY-HEXYLOXY)-
ETHYL]-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE}-ETHYLIDENE)-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL		A1IE80.72
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
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPG0.78
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPJ0.78
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPF0.78
DEXDEXAMETHASONEA,D1M2Z0.74
DEXDEXAMETHASONEA,B,C,D1P930.74
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID		A2W4Q0.78
1CADESOXYCORTICOSTERONEA,B1Y9R0.76
1CADESOXYCORTICOSTERONEA,B,C2ABI0.76
1CADESOXYCORTICOSTERONEA2Q3Y0.76
1CADESOXYCORTICOSTERONEA2AA70.76
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.74
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.74
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.74
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.74
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.74
DGXDIGOXINB,D1IGJ0.8
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.82
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.82
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.82
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid		A3GYU0.74
CLLCHOLESTERYL LINOLEATEA,B1CLE0.74
O1C2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-
DIHYDROXYVITAMIN D3		A2HB70.7
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB10.7
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB30.7
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2BJF0.7
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB20.7
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A1FM40.7
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2W1B0.7
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B1E3V0.7
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A1OS60.7
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D3DTU0.7
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2OPX0.7
CBOCARBENOXOLONEA,B,C,D1HDC0.76
CBOCARBENOXOLONEA,B,C,D2BEL0.76
MRCMUPIROCINA1JZS0.73
MRCMUPIROCINA,T1FFY0.73
MRCMUPIROCINA1QU30.73
MRCMUPIROCINA,T1QU20.73
2OBCHOLESTERYL OLEATEA2OBD0.74
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
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one		A,D2R400.79
0CO(1S,3R,5Z,7E,14beta,17alpha,23R)-
23-(2-hydroxy-2-methylpropyl)-20,24-
epoxy-9,10-secochola-5,7,10-triene-
1,3-diol		A3CS60.73
C3O2ALPHA-PROPOXY-1ALPHA,25-DIHYDROXYVITAMIN D3A2HAS0.7
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,B1BUQ0.81
PIDPERIDININA2C9E0.74
PIDPERIDININM,N,O1PPR0.74
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione		A,B2VDY0.77
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione		A2V950.77
DTXDIGITOXIGENINA1LNM0.93
PRB13-ACETYLPHORBOLA1PTR0.72
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE		A1Q200.75