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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02190923

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.77
9AP9-AMINOPHENANTHRENEA1EGY0.72
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.73
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
A,B1A5H0.72
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
T1V2N0.72
12BBENZO[CD]INDOL-2(1H)-ONEA,B2F670.7
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.74
XYD2,5-DIMETHYLANILINEA1L4L0.74
4AN6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-
DIONE
A2PAX0.71
PRY2-PROPYL-ANILINEA1OWY0.77
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE
A,B1XCU0.71
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.74
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.72
APZ4-AMINOPHTHALHYDRAZIDEA1ENU0.72
UN6(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-
METHYL}-PHENYL)-SULFAMIC ACID
A2F700.72
NID4-NITRO-INDEN-1-ONEA,B1DOH0.73
TSNTRICHOSTATIN AA,B1T640.79
TSNTRICHOSTATIN AA,B1C3R0.79
TSNTRICHOSTATIN AA,B,C3F0R0.79
TSNTRICHOSTATIN AA,B,C3C100.79
2UN{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)-
3-OXOPROPYL]PHENYL}SULFAMIC ACID
A,B2H020.74
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.72
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.72
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.72
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.72
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.78
34A3,4-DIMETHYLANILINEA1L4K0.78
48611-(4-DIMETHYLAMINO-PHENYL)-17-
HYDROXY-13-METHYL-17-PROP-1-YNYL-
1,2,6,7,8,11,12,13,14,15,16,17-
DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-
3-ONE
A1NHZ0.7
48611-(4-DIMETHYLAMINO-PHENYL)-17-
HYDROXY-13-METHYL-17-PROP-1-YNYL-
1,2,6,7,8,11,12,13,14,15,16,17-
DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-
3-ONE
A,B2W8Y0.7
6666-(4-{[2-(3-IODOBENZYL)-3-OXOCYCLOHEX-
1-EN-1-YL]AMINO}PHENYL)-5-METHYL-
4,5-DIHYDROPYRIDAZIN-3(2H)-ONE
A,B,C,D1SO20.71
CRIA,B1VKG0.72
6054'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-
3-carboxamide
A,B3D4L0.71
KYNKYNURENINEA,B,C,D2R2N0.7
KYNKYNURENINEA,B3E2Z0.7
KYNKYNURENINEA1XT70.7
KYNKYNURENINEA1T5M0.7
KYNKYNURENINEA1T5N0.7
KYNKYNURENINEA2VOV0.7
KYNKYNURENINEA2VOX0.7
ANCANTHRACEN-1-YLAMINEA,B1GT10.71
ANCANTHRACEN-1-YLAMINEA,B1HN20.71
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.8
IBRA9EST0.7
PHMPHENYLALANYLMETHANEA,I1PJP0.73
PHMPHENYLALANYLMETHANEA,B,C2J9J0.73
PHMPHENYLALANYLMETHANEA,B,C2JE40.73
ISOPARA-ISOPROPYLANILINEA1BMA0.82
ISOPARA-ISOPROPYLANILINEA,B1ELC0.82
ISOPARA-ISOPROPYLANILINEA,B1ELB0.82
ISOPARA-ISOPROPYLANILINEA,B1ELA0.82
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.73
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE
H1JGU0.76
AO2N'-(2S,3R)-3-AMINO-4-CYCLOHEXYL-
2-HYDROXY-BUTANO-N-(4-METHYLPHENYL)HYDRAZIDE
A1R5H0.7
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.71
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.73
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
A,B2OGZ0.71
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.7
3AB3-aminobenzamideA,B,C,D3GOY0.8
TTT5-amino-2-methyl-N-[(1R)-1-naphthalen-
1-ylethyl]benzamide
A3E9S0.74
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.74
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.74
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.71