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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03026601

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1PL(1S,3aS,5aR,8aS)-1,7,7-trimethyl-
1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-
4-carboxylic acid		A2RDS0.71
1PL(1S,3aS,5aR,8aS)-1,7,7-trimethyl-
1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-
4-carboxylic acid		A2RDN0.71
PAMPALMITOLEIC ACIDA,B,C,D1SMJ0.75
PAMPALMITOLEIC ACIDA,B,C1IZO0.75
PAMPALMITOLEIC ACIDA,B,C,D1FAG0.75
PAMPALMITOLEIC ACIDA1FK30.75
PAMPALMITOLEIC ACIDA,B3EKD0.75
PAMPALMITOLEIC ACIDA2UUH0.75
PAMPALMITOLEIC ACIDA,B1YH80.75
PAMPALMITOLEIC ACIDA,B1YHC0.75
PAMPALMITOLEIC ACIDA1UVB0.75
1CADESOXYCORTICOSTERONEA,B1Y9R0.72
1CADESOXYCORTICOSTERONEA,B,C2ABI0.72
1CADESOXYCORTICOSTERONEA2Q3Y0.72
1CADESOXYCORTICOSTERONEA2AA70.72
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE		A1Q200.76
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE		A2AMB0.73
0ASasiatic acidA2QN10.74
CBOCARBENOXOLONEA,B,C,D1HDC0.7
CBOCARBENOXOLONEA,B,C,D2BEL0.7
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE		A1LHV0.72
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE		A,B3D900.72
HEQ3-[18-(4-HYDROXY-2,6,6-TRIMETHYL-
CYCLOHEX-1-ENYL)-3,7,12,16-TETRAMETHYL-
OCTADECA-1,3,5,7,9,11,13,15, 17-
NONAENYL]-2,4,4-TRIMETHYL-CYCLOHEX-
2-ENONE		A,B1M980.7
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one		A,B1SQN0.72
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one		A,B2W8Y0.72
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,B1BUQ0.72
RCLRICINOLEIC ACIDA2CM40.7
RCLRICINOLEIC ACIDA2CM90.7
RCLRICINOLEIC ACIDA1FK70.7
ASY(12E)-10-oxooctadec-12-enoic acidA,B3CEE0.72
SIMSIMVASTATINA,B,C,D1HW90.72
LNLALPHA-LINOLENIC ACIDA2BYO0.75
LNLALPHA-LINOLENIC ACIDA1FK60.75
ODD(10E,12Z)-OCTADECA-10,12-DIENOIC ACIDA2BAB0.72
LIK3,6-BIS(METHYLENE)DECANOIC ACIDA2HLV0.73
LAXEICOSA-8,11,14-TRIENOIC ACIDA1FE20.74
TESTESTOSTERONEA1JTV0.73
TESTESTOSTERONEA2Q7L0.73
TESTESTOSTERONEA2Q7I0.73
TESTESTOSTERONEA,B1J960.73
TESTESTOSTERONEA2Q7K0.73
TESTESTOSTERONEA,B1Q130.73
TESTESTOSTERONEH1I9J0.73
TESTESTOSTERONEA,B1AFS0.73
TESTESTOSTERONEH1VPO0.73
TESTESTOSTERONEA2Q7J0.73
TESTESTOSTERONEA,B3BUR0.73
TESTESTOSTERONEA2AM90.73
VTQRRR-ALPHA-TOCOPHERYLQUINONEA,C,E1OLM0.71
VCAVACCENIC ACIDA,B2BAW0.74
VCAVACCENIC ACIDA,B2B500.74
VCAVACCENIC ACIDB2ACO0.74
VCAVACCENIC ACIDA,B2AWH0.74
0MAmaslinic acidA2QN20.76
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid		A3GYU0.84
CLLCHOLESTERYL LINOLEATEA,B1CLE0.74
OPD9R,13R-12-OXOPHYTODIENOIC ACIDA,B1ICQ0.77
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid		A3GYT0.81
NER(15E)-TETRACOS-15-ENOIC ACIDA2EUK0.74
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID		A2W4Q0.75
EICLINOLEIC ACIDA2Q9S0.74
EICLINOLEIC ACIDA2EVL0.74
EICLINOLEIC ACIDA1IGZ0.74
ELA9-OCTADECENOIC ACIDA1HMR0.74
2OBCHOLESTERYL OLEATEA2OBD0.74
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPG0.73
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPJ0.73
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPF0.73
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.71
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.71
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.71
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
MVB(1S,7S,8S,8AR)-1,2,3,7,8,8A-HEXAHYDRO-
7-METHYL-8-[2-[(2R,4R)-TETRAHYDRO-
4-HY DROXY-6-OXO-2H-PYRAN-2-YL]ETHYL]-
1-NAPHTHALENOL		A,B,C1YA80.71
OLAOLEIC ACIDA1VYF0.74
OLAOLEIC ACIDA2EV40.74
OLAOLEIC ACIDA1FK50.74
OLAOLEIC ACIDA1FE30.74
OLAOLEIC ACIDA,B2AG40.74
OLAOLEIC ACIDA,B1J780.74
OLAOLEIC ACIDA2E9L0.74
OLAOLEIC ACIDA,B2EV10.74
OLAOLEIC ACIDA1GNI0.74
OLAOLEIC ACIDA1SX60.74
OLAOLEIC ACIDA2E9M0.74
OLAOLEIC ACIDA2FLJ0.74
OLAOLEIC ACIDA2ZOX0.74
OLAOLEIC ACIDA2AF90.74
OLAOLEIC ACIDA,B,C2AG20.74
OLAOLEIC ACIDA2JU80.74
OLAOLEIC ACIDA,B1GT60.74
OLAOLEIC ACIDA,B,C1PMP0.74
OLAOLEIC ACIDA,B1DKF0.74
OLAOLEIC ACIDA1ICN0.74
OLAOLEIC ACIDA1G740.74
OLAOLEIC ACIDA,B1J7E0.74
OLAOLEIC ACIDA1LFO0.74
OLAOLEIC ACIDA1HMS0.74
OLAOLEIC ACIDA2EV30.74
OLAOLEIC ACIDA2EV20.74
OLAOLEIC ACIDA2FTB0.74
OLAOLEIC ACIDA1LID0.74
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		A1M130.75
ODT(11E,13E,15Z)-OCTADECA-11,13,15-
TRIENOIC ACID		A2BAC0.73
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A1E3G0.73
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A,B1E3K0.73
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A2AO60.73
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A1XOW0.73
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A1XQ30.73