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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02514080

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE
A,B,E1R8Q0.72
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE
A1RE00.72
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE
A,E1S9D0.72
HC220-HYDROXYCHOLESTEROLA1ZHW0.76
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.85
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.85
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.85
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EAU0.82
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB30.82
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB40.82
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B2AAX0.82
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A1H610.82
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B3CMF0.82
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A2Q1V0.82
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
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.81
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.81
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.81
PIDPERIDININA2C9E0.71
PIDPERIDININM,N,O1PPR0.71
1CADESOXYCORTICOSTERONEA,B1Y9R0.78
1CADESOXYCORTICOSTERONEA,B,C2ABI0.78
1CADESOXYCORTICOSTERONEA2Q3Y0.78
1CADESOXYCORTICOSTERONEA2AA70.78
ZK59ALPHA-FLUOROCORTISOLA1GS40.76
HC325-HYDROXYCHOLESTEROLA1ZHX0.76
AS4ALDOSTERONEA2AA20.75
AS4ALDOSTERONEA2Q1H0.75
DOGDIGOXIGENINA1LKE0.81
8PG(8S,12S)-15S-HYDROXY-9-OXOPROSTA-
10Z,13E-DIEN-1-OIC ACID
A,B2G5W0.71
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
0MAmaslinic acidA2QN20.72
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.76
CLRCHOLESTEROLA,B2ZXE0.74
CLRCHOLESTEROLA1N830.74
CLRCHOLESTEROLA2RH10.74
CLRCHOLESTEROLA1LRI0.74
CLRCHOLESTEROLA1ZHY0.74
CLRCHOLESTEROLA3D4S0.74
O1C2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-
DIHYDROXYVITAMIN D3
A2HB70.71
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,D1AWH0.77
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.83
0ASasiatic acidA2QN10.7
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.76
SNLSPIRONOLACTONEA,B2AB20.72
SNLSPIRONOLACTONEA,B,C,D,E,F2OAX0.72
C3O2ALPHA-PROPOXY-1ALPHA,25-DIHYDROXYVITAMIN D3A2HAS0.71
DTXDIGITOXIGENINA1LNM0.82
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,B1BUQ0.86
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
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.78
OBNOUABAINH,L1IBG0.72
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.8
OCC2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25-
DIHYDROXYVITAMIN D3
A2HAR0.71
HCR7-HYDROXYCHOLESTEROLA1ZHT0.78
ERGERGOSTEROLA1BXM0.73
ERGERGOSTEROLA1ZHZ0.73
ERGERGOSTEROLA,B2AIB0.73
2OBCHOLESTERYL OLEATEA2OBD0.78
LANLANOSTEROLA1W6K0.72
TESTESTOSTERONEA1JTV0.81
TESTESTOSTERONEA2Q7L0.81
TESTESTOSTERONEA2Q7I0.81
TESTESTOSTERONEA,B1J960.81
TESTESTOSTERONEA2Q7K0.81
TESTESTOSTERONEA,B1Q130.81
TESTESTOSTERONEH1I9J0.81
TESTESTOSTERONEA,B1AFS0.81
TESTESTOSTERONEH1VPO0.81
TESTESTOSTERONEA2Q7J0.81
TESTESTOSTERONEA,B3BUR0.81
TESTESTOSTERONEA2AM90.81
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.77
CBOCARBENOXOLONEA,B,C,D1HDC0.76
CBOCARBENOXOLONEA,B,C,D2BEL0.76
FUAFUSIDIC ACIDA1QCA0.83
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.83
FUAFUSIDIC ACIDA,B2VUF0.83
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
ANBANDROSTA-1,4-DIENE-3,17-DIONEA1H620.7
CLLCHOLESTERYL LINOLEATEA,B1CLE0.78
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
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
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.77
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.77
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.77
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.77
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.77
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE
A2AMB0.71
C0RCORTICOSTERONEA2A3I0.78
C0RCORTICOSTERONEA,B1Y5R0.78
DEXDEXAMETHASONEA,D1M2Z0.78
DEXDEXAMETHASONEA,B,C,D1P930.78
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
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