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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01791759

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX60.72
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX50.72
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX40.72
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA,B1DYJ0.72
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RC40.72
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE
A1SLN0.71
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE
A2SRT0.71
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE
A3BG80.71
FONFOLINIC ACIDA,B1QD10.78
FONFOLINIC ACIDA,B2BLN0.78
FONFOLINIC ACIDA,B,C,D1VRQ0.78
FONFOLINIC ACIDA,B1KL20.78
FONFOLINIC ACIDA,B1XZQ0.78
D16TOMUDEXA,B1I000.74
D16TOMUDEXA,B2KCE0.74
D16TOMUDEXA,B,C,D2TSR0.74
D16TOMUDEXA,B,C,D1HVY0.74
D16TOMUDEXA,B1RTS0.74
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL50.76
DHFDIHYDROFOLIC ACIDA1LCB0.76
DHFDIHYDROFOLIC ACIDA,B,C,D1MXH0.76
DHFDIHYDROFOLIC ACIDA2RK10.76
DHFDIHYDROFOLIC ACIDA1RF70.76
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL60.76
DHFDIHYDROFOLIC ACIDA1TYS0.76
AAFMETHYL 4-{[({[(2R,5S)-5-{[(2S)-
2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-
2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE
B2G630.7
BL6(3aS)-3a-hydroxy-7-methyl-1-phenyl-
1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-
b]quinolin-4-one
A3BZ80.71
BL7(3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-
tetrahydro-4H-pyrrolo[2,3-b]quinolin-
4-one
A3BZ90.71
BL4(3aS)-3a-hydroxy-5-methyl-1-phenyl-
1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-
b]quinolin-4-one
A3BZ70.7
BHB2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)-
3H-QUINAZOLIN-4-ONE
A1Q650.7
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID
A1ZLY0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1KCE0.77
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1NCE0.77
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F1KZJ0.77
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDX2FTO0.77
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TRG0.77
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2TSC0.77
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVU0.77
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVV0.77
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1FWM0.77
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1BQ10.77
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL50.77
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AIQ0.77
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DDU0.77
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E1QZF0.77
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1TDU0.77
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZE0.77
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8M0.77
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E2OIP0.77
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1CI70.77
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DNA0.77
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1LCA0.77
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZD0.77
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1ZPR0.77
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2AAZ0.77
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8O0.77
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVW0.77
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL60.77
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AN50.77
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D2BFA0.77
4DP3-[5-(DIMETHYLAMINO)-1,3-DIOXO-
1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L-
ALANINE
C2IPK0.7
AQO2-AMINOQUINAZOLIN-4(3H)-ONEA1S390.74
BIT(-)-1-PHENYL-1,2,3,4-TETRAHYDRO-
4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN-
4-ONE
A1YV30.71
BW2N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID
A,B,C,D1PL00.74
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1U1J0.8
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2OGY0.8
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XPG0.8
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1TLS0.8
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B,C1ZP40.8
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2E7F0.8
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1TSN0.8
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2IDK0.8
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XR20.8
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1B020.8
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1Q8J0.8
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1EQB0.77
FFO5-FORMYL-6-HYDROFOLIC ACIDA1JOM0.77
FFO5-FORMYL-6-HYDROFOLIC ACIDA1PJ70.77
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1DFO0.77
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B2VMY0.77
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B1JOL0.77
FFO5-FORMYL-6-HYDROFOLIC ACIDA1WOP0.77
FRM2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO-
1(2H)-PYRIDINYL]PROPYL}-8-METHYL-
4(3H)-QUINAZOLINONE
A,B1UK00.72
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID
A,B1TSD0.75
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID
A,B1SYN0.75
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID
A,B2VF00.75
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,E1SEJ0.75
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,D1F280.75
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID
A,B1TLC0.75