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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02449985

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
803LOVASTATINA,B1CQP0.73
ZBA12,13-Epoxytrichothec-9-ene-3,4,8,15-
tetrol-4,15-diacetate-8-isovalerate
A2RKV0.71
ZBA12,13-Epoxytrichothec-9-ene-3,4,8,15-
tetrol-4,15-diacetate-8-isovalerate
A,B,C,D2ZBA0.71
CLRCHOLESTEROLA,B2ZXE0.75
CLRCHOLESTEROLA1N830.75
CLRCHOLESTEROLA2RH10.75
CLRCHOLESTEROLA1LRI0.75
CLRCHOLESTEROLA1ZHY0.75
CLRCHOLESTEROLA3D4S0.75
GR4H,I1AWF0.7
C0RCORTICOSTERONEA2A3I0.82
C0RCORTICOSTERONEA,B1Y5R0.82
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,B1P8D0.76
DTXDIGITOXIGENINA1LNM0.81
GA3GIBBERELLIN A3A2ZSH0.74
GA3GIBBERELLIN A3A,B,C,D,E,F3ED10.74
SNLSPIRONOLACTONEA,B2AB20.74
SNLSPIRONOLACTONEA,B,C,D,E,F2OAX0.74
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OT70.72
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OSV0.72
OCC2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25-
DIHYDROXYVITAMIN D3
A2HAR0.7
SIMSIMVASTATINA,B,C,D1HW90.74
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
3G710.72
CLLCHOLESTERYL LINOLEATEA,B1CLE0.83
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
2OBCHOLESTERYL OLEATEA2OBD0.83
IU5ISO-URSODEOXYCHOLIC ACIDA,B1IHI0.72
IU5ISO-URSODEOXYCHOLIC ACIDA,B1OT70.72
TESTESTOSTERONEA1JTV0.84
TESTESTOSTERONEA2Q7L0.84
TESTESTOSTERONEA2Q7I0.84
TESTESTOSTERONEA,B1J960.84
TESTESTOSTERONEA2Q7K0.84
TESTESTOSTERONEA,B1Q130.84
TESTESTOSTERONEH1I9J0.84
TESTESTOSTERONEA,B1AFS0.84
TESTESTOSTERONEH1VPO0.84
TESTESTOSTERONEA2Q7J0.84
TESTESTOSTERONEA,B3BUR0.84
TESTESTOSTERONEA2AM90.84
AS4ALDOSTERONEA2AA20.78
AS4ALDOSTERONEA2Q1H0.78
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,C1YA80.72
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
A,D1R1K0.81
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,U1Z5X0.81
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,F,G,H2NXX0.81
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EAU0.79
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB30.79
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB40.79
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B2AAX0.79
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A1H610.79
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B3CMF0.79
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A2Q1V0.79
S5H5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATEL2DBL0.74
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
DOGDIGOXIGENINA1LKE0.8
JN3CHENODEOXYCHOLIC ACIDA2JN30.72
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A,B2VDY0.79
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A2V950.79
HCR7-HYDROXYCHOLESTEROLA1ZHT0.8
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.82
DEXDEXAMETHASONEA,D1M2Z0.76
DEXDEXAMETHASONEA,B,C,D1P930.76
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
1CADESOXYCORTICOSTERONEA,B1Y9R0.81
1CADESOXYCORTICOSTERONEA,B,C2ABI0.81
1CADESOXYCORTICOSTERONEA2Q3Y0.81
1CADESOXYCORTICOSTERONEA2AA70.81
OBNOUABAINH,L1IBG0.72
PG2PROSTAGLANDIN D2A,B1RY00.73
ZK59ALPHA-FLUOROCORTISOLA1GS40.78
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.84
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.84
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.84
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.84
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.84
ERGERGOSTEROLA1BXM0.73
ERGERGOSTEROLA1ZHZ0.73
ERGERGOSTEROLA,B2AIB0.73
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.84
0MAmaslinic acidA2QN20.79
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.86
FUAFUSIDIC ACIDA1QCA0.88
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.88
FUAFUSIDIC ACIDA,B2VUF0.88
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.83
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
O1C2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-
DIHYDROXYVITAMIN D3
A2HB70.7
LANLANOSTEROLA1W6K0.73
HC220-HYDROXYCHOLESTEROLA1ZHW0.75
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
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.88
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.88
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.88
HC325-HYDROXYCHOLESTEROLA1ZHX0.75
C3O2ALPHA-PROPOXY-1ALPHA,25-DIHYDROXYVITAMIN D3A2HAS0.7
0ASasiatic acidA2QN10.79
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.81
CBOCARBENOXOLONEA,B,C,D1HDC0.79
CBOCARBENOXOLONEA,B,C,D2BEL0.79
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.85
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,B1BUQ0.87
8PG(8S,12S)-15S-HYDROXY-9-OXOPROSTA-
10Z,13E-DIEN-1-OIC ACID
A,B2G5W0.73
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B1SQN0.76
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B2W8Y0.76
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.84
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.84
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.84
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A1LHV0.76
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A,B3D900.76
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,D1AWH0.82