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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03089409

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AE2AETIOCHOLANOLONEA2QP40.71
AE2AETIOCHOLANOLONEA,B1YB10.71
AE2AETIOCHOLANOLONEA2QP30.71
AE2AETIOCHOLANOLONEA,B1X8J0.71
AE2AETIOCHOLANOLONEA,B,C,D1NFQ0.71
AE2AETIOCHOLANOLONEH1DBJ0.71
AE2AETIOCHOLANOLONEA1OV40.71
CLRCHOLESTEROLA,B2ZXE0.75
CLRCHOLESTEROLA1N830.75
CLRCHOLESTEROLA2RH10.75
CLRCHOLESTEROLA1LRI0.75
CLRCHOLESTEROLA1ZHY0.75
CLRCHOLESTEROLA3D4S0.75
0ASasiatic acidA2QN10.75
TESTESTOSTERONEA1JTV0.91
TESTESTOSTERONEA2Q7L0.91
TESTESTOSTERONEA2Q7I0.91
TESTESTOSTERONEA,B1J960.91
TESTESTOSTERONEA2Q7K0.91
TESTESTOSTERONEA,B1Q130.91
TESTESTOSTERONEH1I9J0.91
TESTESTOSTERONEA,B1AFS0.91
TESTESTOSTERONEH1VPO0.91
TESTESTOSTERONEA2Q7J0.91
TESTESTOSTERONEA,B3BUR0.91
TESTESTOSTERONEA2AM90.91
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE
A2AMB0.74
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
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.88
BDT5-beta-DIHYDROTESTOSTERONEA,B3DOP0.71
STRPROGESTERONEA1H600.75
STRPROGESTERONEA,B,C1YA30.75
STRPROGESTERONEA,B2AA60.75
STRPROGESTERONEA1MRQ0.75
STRPROGESTERONEA,B1A280.75
STRPROGESTERONEA,B2AA50.75
STRPROGESTERONEA2HZQ0.75
STRPROGESTERONEA1W0F0.75
STRPROGESTERONEA2ABA0.75
STRPROGESTERONEA,B3COT0.75
STRPROGESTERONEH1DBB0.75
STRPROGESTERONEH,L2O5Y0.75
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA1S0X0.7
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA2Q9F0.7
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA,B,C2HKA0.7
SIMSIMVASTATINA,B,C,D1HW90.7
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.86
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.86
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.86
0MAmaslinic acidA2QN20.73
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
A,D1R1K0.88
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,U1Z5X0.88
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,F,G,H2NXX0.88
GR4H,I1AWF0.73
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.8
FUAFUSIDIC ACIDA1QCA0.75
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.75
FUAFUSIDIC ACIDA,B2VUF0.75
CBOCARBENOXOLONEA,B,C,D1HDC0.77
CBOCARBENOXOLONEA,B,C,D2BEL0.77
1CADESOXYCORTICOSTERONEA,B1Y9R0.92
1CADESOXYCORTICOSTERONEA,B,C2ABI0.92
1CADESOXYCORTICOSTERONEA2Q3Y0.92
1CADESOXYCORTICOSTERONEA2AA70.92
ASD4-ANDROSTENE-3-17-DIONEA,B3CAS0.75
ASD4-ANDROSTENE-3-17-DIONEA1QYX0.75
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D2VCT0.75
ASD4-ANDROSTENE-3-17-DIONEA1EUP0.75
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV0.75
ASD4-ANDROSTENE-3-17-DIONEA3EQM0.75
ASD4-ANDROSTENE-3-17-DIONEA1XF00.75
B2S(3alpha,7alpha)-3,7,15-trihydroxy-
12,13-epoxytrichothec-9-en-8-one
A3B2S0.72
C0RCORTICOSTERONEA2A3I0.96
C0RCORTICOSTERONEA,B1Y5R0.96
DTXDIGITOXIGENINA1LNM0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEL2PIP0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7M0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I380.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T740.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7R0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PKL0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T630.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDK0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA1DHT0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIR0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T760.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA2Z4J0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T790.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIO0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIV0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA2QPY0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA2AMA0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T650.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIX0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDM0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7T0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T5Z0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIQ0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIT0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIU0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIW0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I370.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA1XJ70.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA1D2S0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA1F5F0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T730.71
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7F0.71
CLLCHOLESTERYL LINOLEATEA,B1CLE0.73
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EAU0.85
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB30.85
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB40.85
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B2AAX0.85
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A1H610.85
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B3CMF0.85
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A2Q1V0.85
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.91
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.91
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.91
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,B1P8D0.72
ANBANDROSTA-1,4-DIENE-3,17-DIONEA1H620.74
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.81
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A,B2VDY0.95
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A2V950.95
LANLANOSTEROLA1W6K0.73
HC220-HYDROXYCHOLESTEROLA1ZHW0.75
ERGERGOSTEROLA1BXM0.72
ERGERGOSTEROLA1ZHZ0.72
ERGERGOSTEROLA,B2AIB0.72
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
DEXDEXAMETHASONEA,D1M2Z0.91
DEXDEXAMETHASONEA,B,C,D1P930.91
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1E3G0.74
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A,B1E3K0.74
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A2AO60.74
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XOW0.74
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XQ30.74
HC325-HYDROXYCHOLESTEROLA1ZHX0.75
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.78
ZK59ALPHA-FLUOROCORTISOLA1GS40.93
AS4ALDOSTERONEA2AA20.94
AS4ALDOSTERONEA2Q1H0.94
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A1LHV0.81
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A,B3D900.81
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.85
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.88
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B1SQN0.81
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B2W8Y0.81
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
HCR7-HYDROXYCHOLESTEROLA1ZHT0.73
2OBCHOLESTERYL OLEATEA2OBD0.73
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