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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01793080

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
D16TOMUDEXA,B1I000.75
D16TOMUDEXA,B2KCE0.75
D16TOMUDEXA,B,C,D2TSR0.75
D16TOMUDEXA,B,C,D1HVY0.75
D16TOMUDEXA,B1RTS0.75
BIT(-)-1-PHENYL-1,2,3,4-TETRAHYDRO-
4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN-
4-ONE
A1YV30.72
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1U1J0.78
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2OGY0.78
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XPG0.78
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1TLS0.78
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B,C1ZP40.78
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2E7F0.78
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1TSN0.78
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2IDK0.78
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XR20.78
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1B020.78
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1Q8J0.78
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID
A,B1TSD0.76
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID
A,B1SYN0.76
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID
A,B2VF00.76
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID
A,B,C,D,E1SEJ0.76
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID
A,B,C,D1F280.76
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID
A,B1TLC0.76
FONFOLINIC ACIDA,B1QD10.77
FONFOLINIC ACIDA,B2BLN0.77
FONFOLINIC ACIDA,B,C,D1VRQ0.77
FONFOLINIC ACIDA,B1KL20.77
FONFOLINIC ACIDA,B1XZQ0.77
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX60.74
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX50.74
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX40.74
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA,B1DYJ0.74
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RC40.74
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1EQB0.76
FFO5-FORMYL-6-HYDROFOLIC ACIDA1JOM0.76
FFO5-FORMYL-6-HYDROFOLIC ACIDA1PJ70.76
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1DFO0.76
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B2VMY0.76
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B1JOL0.76
FFO5-FORMYL-6-HYDROFOLIC ACIDA1WOP0.76
BW2N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID
A,B,C,D1PL00.75
DZF5-DEAZAFOLIC ACIDA,B2DHF0.7
DZF5-DEAZAFOLIC ACIDA,B1DYH0.7
DZF5-DEAZAFOLIC ACIDA,B,C,D1CDE0.7
GF7(3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-
3-carboxylic acid
A3GQZ0.71
BL7(3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-
tetrahydro-4H-pyrrolo[2,3-b]quinolin-
4-one
A3BZ90.73
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL50.77
DHFDIHYDROFOLIC ACIDA1LCB0.77
DHFDIHYDROFOLIC ACIDA,B,C,D1MXH0.77
DHFDIHYDROFOLIC ACIDA2RK10.77
DHFDIHYDROFOLIC ACIDA1RF70.77
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL60.77
DHFDIHYDROFOLIC ACIDA1TYS0.77
AQO2-AMINOQUINAZOLIN-4(3H)-ONEA1S390.75
MAQ2-AMINO-8-METHYLQUINAZOLIN-4(3H)-
ONE
A1S380.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1KCE0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1NCE0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F1KZJ0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDX2FTO0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TRG0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2TSC0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVU0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVV0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1FWM0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1BQ10.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL50.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AIQ0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DDU0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E1QZF0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1TDU0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZE0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8M0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E2OIP0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1CI70.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DNA0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1LCA0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZD0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1ZPR0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2AAZ0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8O0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVW0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL60.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AN50.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D2BFA0.79
BL4(3aS)-3a-hydroxy-5-methyl-1-phenyl-
1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-
b]quinolin-4-one
A3BZ70.71
FRM2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO-
1(2H)-PYRIDINYL]PROPYL}-8-METHYL-
4(3H)-QUINAZOLINONE
A,B1UK00.72
BHB2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)-
3H-QUINAZOLIN-4-ONE
A1Q650.71
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID
A1ZLY0.78
BL6(3aS)-3a-hydroxy-7-methyl-1-phenyl-
1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-
b]quinolin-4-one
A3BZ80.72