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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03230557

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
STRPROGESTERONEA1H600.7
STRPROGESTERONEA,B,C1YA30.7
STRPROGESTERONEA,B2AA60.7
STRPROGESTERONEA1MRQ0.7
STRPROGESTERONEA,B1A280.7
STRPROGESTERONEA,B2AA50.7
STRPROGESTERONEA2HZQ0.7
STRPROGESTERONEA1W0F0.7
STRPROGESTERONEA2ABA0.7
STRPROGESTERONEA,B3COT0.7
STRPROGESTERONEH1DBB0.7
STRPROGESTERONEH,L2O5Y0.7
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.74
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.85
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.85
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.85
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.85
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,B1BUQ0.84
S5H5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATEL2DBL0.72
JN3CHENODEOXYCHOLIC ACIDA2JN30.75
HCR7-HYDROXYCHOLESTEROLA1ZHT0.76
DHT5-ALPHA-DIHYDROTESTOSTERONEL2PIP0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7M0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I380.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T740.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7R0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PKL0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T630.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDK0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1DHT0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIR0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T760.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2Z4J0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T790.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIO0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIV0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2QPY0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2AMA0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T650.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIX0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDM0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7T0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T5Z0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIQ0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIT0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIU0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIW0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I370.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1XJ70.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1D2S0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1F5F0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T730.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7F0.72
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,B1T020.74
FUAFUSIDIC ACIDA1QCA0.78
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.78
FUAFUSIDIC ACIDA,B2VUF0.78
114COMPACTINA,B,C,D1HW80.74
TESTESTOSTERONEA1JTV0.86
TESTESTOSTERONEA2Q7L0.86
TESTESTOSTERONEA2Q7I0.86
TESTESTOSTERONEA,B1J960.86
TESTESTOSTERONEA2Q7K0.86
TESTESTOSTERONEA,B1Q130.86
TESTESTOSTERONEH1I9J0.86
TESTESTOSTERONEA,B1AFS0.86
TESTESTOSTERONEH1VPO0.86
TESTESTOSTERONEA2Q7J0.86
TESTESTOSTERONEA,B3BUR0.86
TESTESTOSTERONEA2AM90.86
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,C1YA80.75
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.87
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL
A,B1J780.72
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL
A,D1MZ90.72
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE
A2AMB0.75
CHDCHOLIC ACIDA,B2PNJ0.75
CHDCHOLIC ACIDA,B1HRK0.75
CHDCHOLIC ACIDA,B2PO70.75
CHDCHOLIC ACIDA2QO60.75
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z
1V550.75
CHDCHOLIC ACIDA2AZY0.75
CHDCHOLIC ACIDA,B,C2DQY0.75
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z
2EIN0.75
CHDCHOLIC ACIDA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z
2EIJ0.75
CHDCHOLIC ACIDA,B,C,D2QD10.75
CHDCHOLIC ACIDA2FT90.75
CHDCHOLIC ACIDA,B2HRC0.75
CHDCHOLIC ACIDA,B1TW40.75
CHDCHOLIC ACIDA,B2QD30.75
CHDCHOLIC ACIDA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z
1V540.75
CHDCHOLIC ACIDA2RLC0.75
CHDCHOLIC ACIDA,B1ON50.75
CHDCHOLIC ACIDA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z
2ZXW0.75
CHDCHOLIC ACIDA,B2QD40.75
CHDCHOLIC ACIDA2QO50.75
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.75
CHDCHOLIC ACIDA,B2QD20.75
CHDCHOLIC ACIDA,B,C3ELZ0.75
CHDCHOLIC ACIDA,B2PO50.75
CHDCHOLIC ACIDA,B1S9Q0.75
CHDCHOLIC ACIDA,B1EE20.75
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2DYR0.75
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2EIM0.75
CHDCHOLIC ACIDA,B,C,D2HRE0.75
CHDCHOLIC ACIDA,B2QD50.75
CHDCHOLIC ACIDA,B3EM00.75
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2EIL0.75
CHDCHOLIC ACIDA2QO40.75
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z
2EIK0.75
2OBCHOLESTERYL OLEATEA2OBD0.87
IU5ISO-URSODEOXYCHOLIC ACIDA,B1IHI0.75
IU5ISO-URSODEOXYCHOLIC ACIDA,B1OT70.75
CBOCARBENOXOLONEA,B,C,D1HDC0.78
CBOCARBENOXOLONEA,B,C,D2BEL0.78
CLRCHOLESTEROLA,B2ZXE0.78
CLRCHOLESTEROLA1N830.78
CLRCHOLESTEROLA2RH10.78
CLRCHOLESTEROLA1LRI0.78
CLRCHOLESTEROLA1ZHY0.78
CLRCHOLESTEROLA3D4S0.78
LANLANOSTEROLA1W6K0.8
ANBANDROSTA-1,4-DIENE-3,17-DIONEA1H620.71
ATE16,17-ANDROSTENE-3-OLA,B1XNX0.78
CLLCHOLESTERYL LINOLEATEA,B1CLE0.87
PG2PROSTAGLANDIN D2A,B1RY00.71
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OT70.75
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OSV0.75
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.83
AS4ALDOSTERONEA2AA20.77
AS4ALDOSTERONEA2Q1H0.77
0MAmaslinic acidA2QN20.84
C0RCORTICOSTERONEA2A3I0.81
C0RCORTICOSTERONEA,B1Y5R0.81
HC220-HYDROXYCHOLESTEROLA1ZHW0.78
DOGDIGOXIGENINA1LKE0.72
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.86
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.86
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.86
BDT5-beta-DIHYDROTESTOSTERONEA,B3DOP0.72
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.85
8PG(8S,12S)-15S-HYDROXY-9-OXOPROSTA-
10Z,13E-DIEN-1-OIC ACID
A,B2G5W0.72
HC325-HYDROXYCHOLESTEROLA1ZHX0.78
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
ZK59ALPHA-FLUOROCORTISOLA1GS40.77
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,B1P8D0.77
AE2AETIOCHOLANOLONEA2QP40.72
AE2AETIOCHOLANOLONEA,B1YB10.72
AE2AETIOCHOLANOLONEA2QP30.72
AE2AETIOCHOLANOLONEA,B1X8J0.72
AE2AETIOCHOLANOLONEA,B,C,D1NFQ0.72
AE2AETIOCHOLANOLONEH1DBJ0.72
AE2AETIOCHOLANOLONEA1OV40.72
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
A,D1R1K0.74
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,U1Z5X0.74
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,F,G,H2NXX0.74
0ASasiatic acidA2QN10.82
ASD4-ANDROSTENE-3-17-DIONEA,B3CAS0.7
ASD4-ANDROSTENE-3-17-DIONEA1QYX0.7
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D2VCT0.7
ASD4-ANDROSTENE-3-17-DIONEA1EUP0.7
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV0.7
ASD4-ANDROSTENE-3-17-DIONEA3EQM0.7
ASD4-ANDROSTENE-3-17-DIONEA1XF00.7
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EAU0.77
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB30.77
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB40.77
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B2AAX0.77
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A1H610.77
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B3CMF0.77
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A2Q1V0.77
DEXDEXAMETHASONEA,D1M2Z0.77
DEXDEXAMETHASONEA,B,C,D1P930.77
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
ERGERGOSTEROLA1BXM0.77
ERGERGOSTEROLA1ZHZ0.77
ERGERGOSTEROLA,B2AIB0.77
803LOVASTATINA,B1CQP0.76
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.86
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.86
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.86
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.86
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.86
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
SIMSIMVASTATINA,B,C,D1HW90.76
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.84
DTXDIGITOXIGENINA1LNM0.73
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1E3G0.75
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A,B1E3K0.75
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A2AO60.75
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XOW0.75
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XQ30.75
SNLSPIRONOLACTONEA,B2AB20.71
SNLSPIRONOLACTONEA,B,C,D,E,F2OAX0.71
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
1CADESOXYCORTICOSTERONEA,B1Y9R0.83
1CADESOXYCORTICOSTERONEA,B,C2ABI0.83
1CADESOXYCORTICOSTERONEA2Q3Y0.83
1CADESOXYCORTICOSTERONEA2AA70.83
D2V(3S,5Z,7E,22E)-9,10-secoergosta-
5,7,10,22-tetraen-3-ol
A,B3CZH0.7
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB10.77
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB30.77
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2BJF0.77
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB20.77
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A1FM40.77
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2W1B0.77
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B1E3V0.77
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A1OS60.77
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D3DTU0.77
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2OPX0.77
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