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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02442199

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CLLCHOLESTERYL LINOLEATEA,B1CLE0.92
2OBCHOLESTERYL OLEATEA2OBD0.92
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.85
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.84
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.84
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.84
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
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.84
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,B1BUQ0.83
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.82
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.81
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.8
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.8
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.8
TESTESTOSTERONEA1JTV0.8
TESTESTOSTERONEA2Q7L0.8
TESTESTOSTERONEA2Q7I0.8
TESTESTOSTERONEA,B1J960.8
TESTESTOSTERONEA2Q7K0.8
TESTESTOSTERONEA,B1Q130.8
TESTESTOSTERONEH1I9J0.8
TESTESTOSTERONEA,B1AFS0.8
TESTESTOSTERONEH1VPO0.8
TESTESTOSTERONEA2Q7J0.8
TESTESTOSTERONEA,B3BUR0.8
TESTESTOSTERONEA2AM90.8
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
1CADESOXYCORTICOSTERONEA,B1Y9R0.77
1CADESOXYCORTICOSTERONEA,B,C2ABI0.77
1CADESOXYCORTICOSTERONEA2Q3Y0.77
1CADESOXYCORTICOSTERONEA2AA70.77
CBOCARBENOXOLONEA,B,C,D1HDC0.75
CBOCARBENOXOLONEA,B,C,D2BEL0.75
S5H5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATEL2DBL0.75
C0RCORTICOSTERONEA2A3I0.75
C0RCORTICOSTERONEA,B1Y5R0.75
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.75
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,B1P8D0.75
SNLSPIRONOLACTONEA,B2AB20.74
SNLSPIRONOLACTONEA,B,C,D,E,F2OAX0.74
CLRCHOLESTEROLA,B2ZXE0.74
CLRCHOLESTEROLA1N830.74
CLRCHOLESTEROLA2RH10.74
CLRCHOLESTEROLA1LRI0.74
CLRCHOLESTEROLA1ZHY0.74
CLRCHOLESTEROLA3D4S0.74
0MAmaslinic acidA2QN20.74
HC325-HYDROXYCHOLESTEROLA1ZHX0.74
HC220-HYDROXYCHOLESTEROLA1ZHW0.74
0ASasiatic acidA2QN10.73
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA1S0X0.73
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA2Q9F0.73
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA,B,C2HKA0.73
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B1SQN0.73
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B2W8Y0.73
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A1LHV0.73
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A,B3D900.73
STRPROGESTERONEA1H600.73
STRPROGESTERONEA,B,C1YA30.73
STRPROGESTERONEA,B2AA60.73
STRPROGESTERONEA1MRQ0.73
STRPROGESTERONEA,B1A280.73
STRPROGESTERONEA,B2AA50.73
STRPROGESTERONEA2HZQ0.73
STRPROGESTERONEA1W0F0.73
STRPROGESTERONEA2ABA0.73
STRPROGESTERONEA,B3COT0.73
STRPROGESTERONEH1DBB0.73
STRPROGESTERONEH,L2O5Y0.73
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A,B2VDY0.73
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A2V950.73
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB10.73
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB30.73
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2BJF0.73
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB20.73
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A1FM40.73
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2W1B0.73
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B1E3V0.73
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A1OS60.73
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D3DTU0.73
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2OPX0.73
ASD4-ANDROSTENE-3-17-DIONEA,B3CAS0.73
ASD4-ANDROSTENE-3-17-DIONEA1QYX0.73
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D2VCT0.73
ASD4-ANDROSTENE-3-17-DIONEA1EUP0.73
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV0.73
ASD4-ANDROSTENE-3-17-DIONEA3EQM0.73
ASD4-ANDROSTENE-3-17-DIONEA1XF00.73
HCR7-HYDROXYCHOLESTEROLA1ZHT0.73
FUAFUSIDIC ACIDA1QCA0.72
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.72
FUAFUSIDIC ACIDA,B2VUF0.72
CA4CYPROTERONE ACETATEA2OZ70.72
AS4ALDOSTERONEA2AA20.72
AS4ALDOSTERONEA2Q1H0.72
ZK59ALPHA-FLUOROCORTISOLA1GS40.71
ANBANDROSTA-1,4-DIENE-3,17-DIONEA1H620.71
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
A,D1R1K0.71
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,U1Z5X0.71
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,F,G,H2NXX0.71
ERGERGOSTEROLA1BXM0.71
ERGERGOSTEROLA1ZHZ0.71
ERGERGOSTEROLA,B2AIB0.71
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OT70.71
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OSV0.71
SIMSIMVASTATINA,B,C,D1HW90.71
803LOVASTATINA,B1CQP0.71
JN3CHENODEOXYCHOLIC ACIDA2JN30.71
IU5ISO-URSODEOXYCHOLIC ACIDA,B1IHI0.71
IU5ISO-URSODEOXYCHOLIC ACIDA,B1OT70.71
CHDCHOLIC ACIDA,B2PNJ0.71
CHDCHOLIC ACIDA,B1HRK0.71
CHDCHOLIC ACIDA,B2PO70.71
CHDCHOLIC ACIDA2QO60.71
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z
1V550.71
CHDCHOLIC ACIDA2AZY0.71
CHDCHOLIC ACIDA,B,C2DQY0.71
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z
2EIN0.71
CHDCHOLIC ACIDA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z
2EIJ0.71
CHDCHOLIC ACIDA,B,C,D2QD10.71
CHDCHOLIC ACIDA2FT90.71
CHDCHOLIC ACIDA,B2HRC0.71
CHDCHOLIC ACIDA,B1TW40.71
CHDCHOLIC ACIDA,B2QD30.71
CHDCHOLIC ACIDA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z
1V540.71
CHDCHOLIC ACIDA2RLC0.71
CHDCHOLIC ACIDA,B1ON50.71
CHDCHOLIC ACIDA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z
2ZXW0.71
CHDCHOLIC ACIDA,B2QD40.71
CHDCHOLIC ACIDA2QO50.71
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.71
CHDCHOLIC ACIDA,B2QD20.71
CHDCHOLIC ACIDA,B,C3ELZ0.71
CHDCHOLIC ACIDA,B2PO50.71
CHDCHOLIC ACIDA,B1S9Q0.71
CHDCHOLIC ACIDA,B1EE20.71
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2DYR0.71
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2EIM0.71
CHDCHOLIC ACIDA,B,C,D2HRE0.71
CHDCHOLIC ACIDA,B2QD50.71
CHDCHOLIC ACIDA,B3EM00.71
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2EIL0.71
CHDCHOLIC ACIDA2QO40.71
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z
2EIK0.71
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.71
DHT5-ALPHA-DIHYDROTESTOSTERONEL2PIP0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7M0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I380.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T740.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7R0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PKL0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T630.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDK0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1DHT0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIR0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T760.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA2Z4J0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T790.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIO0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIV0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA2QPY0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA2AMA0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T650.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIX0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDM0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7T0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T5Z0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIQ0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIT0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIU0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIW0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I370.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1XJ70.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1D2S0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1F5F0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T730.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7F0.7
AE2AETIOCHOLANOLONEA2QP40.7
AE2AETIOCHOLANOLONEA,B1YB10.7
AE2AETIOCHOLANOLONEA2QP30.7
AE2AETIOCHOLANOLONEA,B1X8J0.7
AE2AETIOCHOLANOLONEA,B,C,D1NFQ0.7
AE2AETIOCHOLANOLONEH1DBJ0.7
AE2AETIOCHOLANOLONEA1OV40.7
BDT5-beta-DIHYDROTESTOSTERONEA,B3DOP0.7