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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03269748

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1642-(3-CARBOXYPROPIONYL)-6-HYDROXY-
CYCLOHEXA-2,4-DIENE CARBOXYLIC ACID
A1R6W0.78
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.75
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
TESTESTOSTERONEA1JTV0.7
TESTESTOSTERONEA2Q7L0.7
TESTESTOSTERONEA2Q7I0.7
TESTESTOSTERONEA,B1J960.7
TESTESTOSTERONEA2Q7K0.7
TESTESTOSTERONEA,B1Q130.7
TESTESTOSTERONEH1I9J0.7
TESTESTOSTERONEA,B1AFS0.7
TESTESTOSTERONEH1VPO0.7
TESTESTOSTERONEA2Q7J0.7
TESTESTOSTERONEA,B3BUR0.7
TESTESTOSTERONEA2AM90.7
8PG(8S,12S)-15S-HYDROXY-9-OXOPROSTA-
10Z,13E-DIEN-1-OIC ACID
A,B2G5W0.82
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE
A2AMB0.7
6OB(8E,10S,12Z)-10-hydroxy-6-oxooctadeca-
8,12-dienoic acid
A,B2VV40.7
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.7
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.7
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.7
CDZ3,5-dihydroxy-4,6,6-tris(3-methylbut-
2-en-1-yl)-2-(2-methylpropanoyl)cyclohexa-
2,4-dien-1-one
A2QNV0.76
5OP(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-
5,13-DIEN-1-OIC ACID
A2ZB40.72
5OP(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-
5,13-DIEN-1-OIC ACID
A,B1V3V0.72
9OD(2Z)-9-oxodec-2-enoic acidA3BFA0.75
9OD(2Z)-9-oxodec-2-enoic acidA,B3CZ00.75
9OD(2Z)-9-oxodec-2-enoic acidA,B3CYZ0.75
9OD(2Z)-9-oxodec-2-enoic acidA3BFB0.75
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1E3G0.7
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A,B1E3K0.7
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A2AO60.7
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XOW0.7
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XQ30.7
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.74
OXR4-OXORETINOLA,B1X8L0.71
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.72
VTQRRR-ALPHA-TOCOPHERYLQUINONEA,C,E1OLM0.77
MEI(2E,4E)-11-METHOXY-3,7,11-TRIMETHYLDODECA-
2,4-DIENOIC ACID
A,B1UHL0.75
PTG(5E,14E)-11-oxoprosta-5,9,12,14-
tetraen-1-oic acid
A,B2ZK10.72
PTG(5E,14E)-11-oxoprosta-5,9,12,14-
tetraen-1-oic acid
A2ZK20.72
E4H(3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-
4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-
9-ENE-2,8-DIONE
A,B2HFK0.72
PG2PROSTAGLANDIN D2A,B1RY00.72
ASY(12E)-10-oxooctadec-12-enoic acidA,B3CEE0.71
OPD9R,13R-12-OXOPHYTODIENOIC ACIDA,B1ICQ0.84