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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02253215

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
OCR(5E,8E,11Z,13E)-15-oxoicosa-5,8,11,13-
tetraenoic acid		A,B2ZK40.72
VTQRRR-ALPHA-TOCOPHERYLQUINONEA,C,E1OLM0.82
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPG0.71
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPJ0.71
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPF0.71
1CADESOXYCORTICOSTERONEA,B1Y9R0.7
1CADESOXYCORTICOSTERONEA,B,C2ABI0.7
1CADESOXYCORTICOSTERONEA2Q3Y0.7
1CADESOXYCORTICOSTERONEA2AA70.7
8PG(8S,12S)-15S-HYDROXY-9-OXOPROSTA-
10Z,13E-DIEN-1-OIC ACID		A,B2G5W0.76
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
LAXEICOSA-8,11,14-TRIENOIC ACIDA1FE20.75
LIK3,6-BIS(METHYLENE)DECANOIC ACIDA2HLV0.74
CDZ3,5-dihydroxy-4,6,6-tris(3-methylbut-
2-en-1-yl)-2-(2-methylpropanoyl)cyclohexa-
2,4-dien-1-one		A2QNV0.75
9OD(2Z)-9-oxodec-2-enoic acidA3BFA0.71
9OD(2Z)-9-oxodec-2-enoic acidA,B3CZ00.71
9OD(2Z)-9-oxodec-2-enoic acidA,B3CYZ0.71
9OD(2Z)-9-oxodec-2-enoic acidA3BFB0.71
PTG(5E,14E)-11-oxoprosta-5,9,12,14-
tetraen-1-oic acid		A,B2ZK10.76
PTG(5E,14E)-11-oxoprosta-5,9,12,14-
tetraen-1-oic acid		A2ZK20.76
1642-(3-CARBOXYPROPIONYL)-6-HYDROXY-
CYCLOHEXA-2,4-DIENE CARBOXYLIC ACID		A1R6W0.74
ODD(10E,12Z)-OCTADECA-10,12-DIENOIC ACIDA2BAB0.72
ASY(12E)-10-oxooctadec-12-enoic acidA,B3CEE0.78
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one		A,B1SQN0.7
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one		A,B2W8Y0.7
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE		A1LHV0.7
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE		A,B3D900.7
OPD9R,13R-12-OXOPHYTODIENOIC ACIDA,B1ICQ0.86
LNLALPHA-LINOLENIC ACIDA2BYO0.76
LNLALPHA-LINOLENIC ACIDA1FK60.76
MEI(2E,4E)-11-METHOXY-3,7,11-TRIMETHYLDODECA-
2,4-DIENOIC ACID		A,B1UHL0.72
E4H(3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-
4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-
9-ENE-2,8-DIONE		A,B2HFK0.75
TESTESTOSTERONEA1JTV0.71
TESTESTOSTERONEA2Q7L0.71
TESTESTOSTERONEA2Q7I0.71
TESTESTOSTERONEA,B1J960.71
TESTESTOSTERONEA2Q7K0.71
TESTESTOSTERONEA,B1Q130.71
TESTESTOSTERONEH1I9J0.71
TESTESTOSTERONEA,B1AFS0.71
TESTESTOSTERONEH1VPO0.71
TESTESTOSTERONEA2Q7J0.71
TESTESTOSTERONEA,B3BUR0.71
TESTESTOSTERONEA2AM90.71
VCAVACCENIC ACIDA,B2BAW0.75
VCAVACCENIC ACIDA,B2B500.75
VCAVACCENIC ACIDB2ACO0.75
VCAVACCENIC ACIDA,B2AWH0.75
1PL(1S,3aS,5aR,8aS)-1,7,7-trimethyl-
1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-
4-carboxylic acid		A2RDS0.72
1PL(1S,3aS,5aR,8aS)-1,7,7-trimethyl-
1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-
4-carboxylic acid		A2RDN0.72
PAMPALMITOLEIC ACIDA,B,C,D1SMJ0.76
PAMPALMITOLEIC ACIDA,B,C1IZO0.76
PAMPALMITOLEIC ACIDA,B,C,D1FAG0.76
PAMPALMITOLEIC ACIDA1FK30.76
PAMPALMITOLEIC ACIDA,B3EKD0.76
PAMPALMITOLEIC ACIDA2UUH0.76
PAMPALMITOLEIC ACIDA,B1YH80.76
PAMPALMITOLEIC ACIDA,B1YHC0.76
PAMPALMITOLEIC ACIDA1UVB0.76
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,B1M980.71
5OP(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-
5,13-DIEN-1-OIC ACID		A2ZB40.73
5OP(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-
5,13-DIEN-1-OIC ACID		A,B1V3V0.73
RCLRICINOLEIC ACIDA2CM40.71
RCLRICINOLEIC ACIDA2CM90.71
RCLRICINOLEIC ACIDA1FK70.71
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID		A2W4Q0.73
OLAOLEIC ACIDA1VYF0.75
OLAOLEIC ACIDA2EV40.75
OLAOLEIC ACIDA1FK50.75
OLAOLEIC ACIDA1FE30.75
OLAOLEIC ACIDA,B2AG40.75
OLAOLEIC ACIDA,B1J780.75
OLAOLEIC ACIDA2E9L0.75
OLAOLEIC ACIDA,B2EV10.75
OLAOLEIC ACIDA1GNI0.75
OLAOLEIC ACIDA1SX60.75
OLAOLEIC ACIDA2E9M0.75
OLAOLEIC ACIDA2FLJ0.75
OLAOLEIC ACIDA2ZOX0.75
OLAOLEIC ACIDA2AF90.75
OLAOLEIC ACIDA,B,C2AG20.75
OLAOLEIC ACIDA2JU80.75
OLAOLEIC ACIDA,B1GT60.75
OLAOLEIC ACIDA,B,C1PMP0.75
OLAOLEIC ACIDA,B1DKF0.75
OLAOLEIC ACIDA1ICN0.75
OLAOLEIC ACIDA1G740.75
OLAOLEIC ACIDA,B1J7E0.75
OLAOLEIC ACIDA1LFO0.75
OLAOLEIC ACIDA1HMS0.75
OLAOLEIC ACIDA2EV30.75
OLAOLEIC ACIDA2EV20.75
OLAOLEIC ACIDA2FTB0.75
OLAOLEIC ACIDA1LID0.75
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE		A2AMB0.71
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid		A3GYU0.77
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		A1M130.73
NER(15E)-TETRACOS-15-ENOIC ACIDA2EUK0.75
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,B1BUQ0.71
EICLINOLEIC ACIDA2Q9S0.75
EICLINOLEIC ACIDA2EVL0.75
EICLINOLEIC ACIDA1IGZ0.75
ODT(11E,13E,15Z)-OCTADECA-11,13,15-
TRIENOIC ACID		A2BAC0.73
ELA9-OCTADECENOIC ACIDA1HMR0.75
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid		A3GYT0.79