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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00461181

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE		A1LHV0.74
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE		A,B3D900.74
HC220-HYDROXYCHOLESTEROLA1ZHW0.76
JN3CHENODEOXYCHOLIC ACIDA2JN30.73
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.85
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.85
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.85
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one		A,B1SQN0.74
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one		A,B2W8Y0.74
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,B1BUQ0.84
ZK59ALPHA-FLUOROCORTISOLA1GS40.76
HC325-HYDROXYCHOLESTEROLA1ZHX0.76
DOGDIGOXIGENINA1LKE0.79
S5H5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATEL2DBL0.7
8PG(8S,12S)-15S-HYDROXY-9-OXOPROSTA-
10Z,13E-DIEN-1-OIC ACID		A,B2G5W0.71
IU5ISO-URSODEOXYCHOLIC ACIDA,B1IHI0.73
IU5ISO-URSODEOXYCHOLIC ACIDA,B1OT70.73
SIMSIMVASTATINA,B,C,D1HW90.74
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A1E3G0.71
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A,B1E3K0.71
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A2AO60.71
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A1XOW0.71
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A1XQ30.71
CHDCHOLIC ACIDA,B2PNJ0.73
CHDCHOLIC ACIDA,B1HRK0.73
CHDCHOLIC ACIDA,B2PO70.73
CHDCHOLIC ACIDA2QO60.73
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z		1V550.73
CHDCHOLIC ACIDA2AZY0.73
CHDCHOLIC ACIDA,B,C2DQY0.73
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z		2EIN0.73
CHDCHOLIC ACIDA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z		2EIJ0.73
CHDCHOLIC ACIDA,B,C,D2QD10.73
CHDCHOLIC ACIDA2FT90.73
CHDCHOLIC ACIDA,B2HRC0.73
CHDCHOLIC ACIDA,B1TW40.73
CHDCHOLIC ACIDA,B2QD30.73
CHDCHOLIC ACIDA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z		1V540.73
CHDCHOLIC ACIDA2RLC0.73
CHDCHOLIC ACIDA,B1ON50.73
CHDCHOLIC ACIDA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z		2ZXW0.73
CHDCHOLIC ACIDA,B2QD40.73
CHDCHOLIC ACIDA2QO50.73
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2DYS0.73
CHDCHOLIC ACIDA,B2QD20.73
CHDCHOLIC ACIDA,B,C3ELZ0.73
CHDCHOLIC ACIDA,B2PO50.73
CHDCHOLIC ACIDA,B1S9Q0.73
CHDCHOLIC ACIDA,B1EE20.73
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2DYR0.73
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2EIM0.73
CHDCHOLIC ACIDA,B,C,D2HRE0.73
CHDCHOLIC ACIDA,B2QD50.73
CHDCHOLIC ACIDA,B3EM00.73
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2EIL0.73
CHDCHOLIC ACIDA2QO40.73
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z		2EIK0.73
803LOVASTATINA,B1CQP0.74
CLLCHOLESTERYL LINOLEATEA,B1CLE0.82
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid		A3GYU0.83
GA3GIBBERELLIN A3A2ZSH0.73
GA3GIBBERELLIN A3A,B,C,D,E,F3ED10.73
C0RCORTICOSTERONEA2A3I0.8
C0RCORTICOSTERONEA,B1Y5R0.8
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.83
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.83
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.83
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.83
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.83
MVB(1S,7S,8S,8AR)-1,2,3,7,8,8A-HEXAHYDRO-
7-METHYL-8-[2-[(2R,4R)-TETRAHYDRO-
4-HY DROXY-6-OXO-2H-PYRAN-2-YL]ETHYL]-
1-NAPHTHALENOL		A,B,C1YA80.73
CBOCARBENOXOLONEA,B,C,D1HDC0.78
CBOCARBENOXOLONEA,B,C,D2BEL0.78
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.83
2OBCHOLESTERYL OLEATEA2OBD0.82
DTXDIGITOXIGENINA1LNM0.8
PG2PROSTAGLANDIN D2A,B1RY00.71
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
AS4ALDOSTERONEA2AA20.77
AS4ALDOSTERONEA2Q1H0.77
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPG0.83
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPJ0.83
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPF0.83
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID		A2W4Q0.82
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A3EAU0.76
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A3EB30.76
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A3EB40.76
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A,B2AAX0.76
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A1H610.76
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A,B3CMF0.76
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A2Q1V0.76
FUAFUSIDIC ACIDA1QCA0.85
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1Q230.85
FUAFUSIDIC ACIDA,B2VUF0.85
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one		A,D2R400.78
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OT70.73
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OSV0.73
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
LANLANOSTEROLA1W6K0.78
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,D1AWH0.79
HCR7-HYDROXYCHOLESTEROLA1ZHT0.78
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid		A3GYT0.82
ERGERGOSTEROLA1BXM0.73
ERGERGOSTEROLA1ZHZ0.73
ERGERGOSTEROLA,B2AIB0.73
ZBA12,13-Epoxytrichothec-9-ene-3,4,8,15-
tetrol-4,15-diacetate-8-isovalerate		A2RKV0.72
ZBA12,13-Epoxytrichothec-9-ene-3,4,8,15-
tetrol-4,15-diacetate-8-isovalerate		A,B,C,D2ZBA0.72
OBNOUABAINH,L1IBG0.7
DEXDEXAMETHASONEA,D1M2Z0.75
DEXDEXAMETHASONEA,B,C,D1P930.75
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB10.74
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB30.74
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2BJF0.74
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB20.74
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A1FM40.74
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2W1B0.74
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B1E3V0.74
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A1OS60.74
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D3DTU0.74
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2OPX0.74
0ASasiatic acidA2QN10.82
CLRCHOLESTEROLA,B2ZXE0.76
CLRCHOLESTEROLA1N830.76
CLRCHOLESTEROLA2RH10.76
CLRCHOLESTEROLA1LRI0.76
CLRCHOLESTEROLA1ZHY0.76
CLRCHOLESTEROLA3D4S0.76
1CADESOXYCORTICOSTERONEA,B1Y9R0.8
1CADESOXYCORTICOSTERONEA,B,C2ABI0.8
1CADESOXYCORTICOSTERONEA2Q3Y0.8
1CADESOXYCORTICOSTERONEA2AA70.8
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE		A,D1R1K0.78
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE		E,U1Z5X0.78
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE		E,F,G,H2NXX0.78
TESTESTOSTERONEA1JTV0.83
TESTESTOSTERONEA2Q7L0.83
TESTESTOSTERONEA2Q7I0.83
TESTESTOSTERONEA,B1J960.83
TESTESTOSTERONEA2Q7K0.83
TESTESTOSTERONEA,B1Q130.83
TESTESTOSTERONEH1I9J0.83
TESTESTOSTERONEA,B1AFS0.83
TESTESTOSTERONEH1VPO0.83
TESTESTOSTERONEA2Q7J0.83
TESTESTOSTERONEA,B3BUR0.83
TESTESTOSTERONEA2AM90.83
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA1S0X0.71
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA2Q9F0.71
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA,B,C2HKA0.71
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE		A1Q200.84
ATE16,17-ANDROSTENE-3-OLA,B1XNX0.71
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione		A,B2VDY0.78
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione		A2V950.78
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE		A2AMB0.71
SNLSPIRONOLACTONEA,B2AB20.71
SNLSPIRONOLACTONEA,B,C,D,E,F2OAX0.71
CO117-[3-(3,3-DIMETHYL-OXIRANYL)-1-
METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-
TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-
3-OL		A,B1P8D0.74
0MAmaslinic acidA2QN20.82