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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02185595

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.8
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE
A2AMB0.74
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
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,B1BUQ0.73
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.71
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
1PL(1S,3aS,5aR,8aS)-1,7,7-trimethyl-
1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-
4-carboxylic acid
A2RDS0.79
1PL(1S,3aS,5aR,8aS)-1,7,7-trimethyl-
1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-
4-carboxylic acid
A2RDN0.79
HYF4-HYDROXY-5-ISOBUTYRYL-6-METHYL-
1,3,7-TRIS-(3-METHYL-BUT-2-ENYL)-
6-(4-METHYL-PENT-3-ENYL)-BICYCLO[3.3.1]NON-
3-ENE-2,9-DIONE
A1M130.71
1CADESOXYCORTICOSTERONEA,B1Y9R0.73
1CADESOXYCORTICOSTERONEA,B,C2ABI0.73
1CADESOXYCORTICOSTERONEA2Q3Y0.73
1CADESOXYCORTICOSTERONEA2AA70.73
ASD4-ANDROSTENE-3-17-DIONEA,B3CAS0.71
ASD4-ANDROSTENE-3-17-DIONEA1QYX0.71
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D2VCT0.71
ASD4-ANDROSTENE-3-17-DIONEA1EUP0.71
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV0.71
ASD4-ANDROSTENE-3-17-DIONEA3EQM0.71
ASD4-ANDROSTENE-3-17-DIONEA1XF00.71
ANBANDROSTA-1,4-DIENE-3,17-DIONEA1H620.71
TESTESTOSTERONEA1JTV0.74
TESTESTOSTERONEA2Q7L0.74
TESTESTOSTERONEA2Q7I0.74
TESTESTOSTERONEA,B1J960.74
TESTESTOSTERONEA2Q7K0.74
TESTESTOSTERONEA,B1Q130.74
TESTESTOSTERONEH1I9J0.74
TESTESTOSTERONEA,B1AFS0.74
TESTESTOSTERONEH1VPO0.74
TESTESTOSTERONEA2Q7J0.74
TESTESTOSTERONEA,B3BUR0.74
TESTESTOSTERONEA2AM90.74
E4H(3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-
4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-
9-ENE-2,8-DIONE
A,B2HFK0.71
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.72
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.72
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.72
OPD9R,13R-12-OXOPHYTODIENOIC ACIDA,B1ICQ0.83
STRPROGESTERONEA1H600.71
STRPROGESTERONEA,B,C1YA30.71
STRPROGESTERONEA,B2AA60.71
STRPROGESTERONEA1MRQ0.71
STRPROGESTERONEA,B1A280.71
STRPROGESTERONEA,B2AA50.71
STRPROGESTERONEA2HZQ0.71
STRPROGESTERONEA1W0F0.71
STRPROGESTERONEA2ABA0.71
STRPROGESTERONEA,B3COT0.71
STRPROGESTERONEH1DBB0.71
STRPROGESTERONEH,L2O5Y0.71
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.73
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.73
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.73
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.73
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.73
5OP(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-
5,13-DIEN-1-OIC ACID
A2ZB40.78
5OP(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-
5,13-DIEN-1-OIC ACID
A,B1V3V0.78
PTG(5E,14E)-11-oxoprosta-5,9,12,14-
tetraen-1-oic acid
A,B2ZK10.74
PTG(5E,14E)-11-oxoprosta-5,9,12,14-
tetraen-1-oic acid
A2ZK20.74
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.72
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.81
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
8PG(8S,12S)-15S-HYDROXY-9-OXOPROSTA-
10Z,13E-DIEN-1-OIC ACID
A,B2G5W0.74
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.73
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.74
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.74
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.74