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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01842572

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DZF5-DEAZAFOLIC ACIDA,B2DHF0.71
DZF5-DEAZAFOLIC ACIDA,B1DYH0.71
DZF5-DEAZAFOLIC ACIDA,B,C,D1CDE0.71
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
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID		A1ZLY0.8
PFG10-PARPARGYL-5,8-DIDEAZAFOLATE-
4-GLUTAMIC ACID		A,B2BBQ0.8
FONFOLINIC ACIDA,B1QD10.78
FONFOLINIC ACIDA,B2BLN0.78
FONFOLINIC ACIDA,B,C,D1VRQ0.78
FONFOLINIC ACIDA,B1KL20.78
FONFOLINIC ACIDA,B1XZQ0.78
D16TOMUDEXA,B1I000.75
D16TOMUDEXA,B2KCE0.75
D16TOMUDEXA,B,C,D2TSR0.75
D16TOMUDEXA,B,C,D1HVY0.75
D16TOMUDEXA,B1RTS0.75
TC83-(2,6-difluorophenyl)-2-(methylthio)quinazolin-
4(3H)-one		A3G3N0.72
BL4(3aS)-3a-hydroxy-5-methyl-1-phenyl-
1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-
b]quinolin-4-one		A3BZ70.73
XX43-(2-AMINO-6-BENZOYLQUINAZOLIN-
3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE		A,B,C2Q110.76
GF7(3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-
3-carboxylic acid		A3GQZ0.72
NHS10-FORMYL-5,8,10-TRIDEAZAFOLIC ACIDA,B1C2T0.8
BIT(-)-1-PHENYL-1,2,3,4-TETRAHYDRO-
4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN-
4-ONE		A1YV30.74
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA,B,C,D1EJI0.77
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA1U3G0.77
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA2TDD0.77
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1BJG0.77
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1JBW0.77
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1LCE0.77
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A3G5R0.79
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A1WOO0.79
BL7(3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-
tetrahydro-4H-pyrrolo[2,3-b]quinolin-
4-one		A3BZ90.75
SY12-({2-[(3R)-3-AMINOPIPERIDIN-1-
YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE		A,B,C,D2ONC0.73
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1TSD0.77
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1SYN0.77
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B2VF00.77
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,E1SEJ0.77
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,D1F280.77
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1TLC0.77
MEFN-({4-[(6aR)-3-amino-1-oxo-1,2,5,6,6a,7-
hexahydroimidazo[1,5-f]pteridin-
8(9H)-yl]phenyl}carbonyl)-L-glutamic acid		A3BGX0.79
U89N-[4-[[3-(2,4-DIAMINO-1,6-DIHYDRO-
6-OXO-4-PYRIMIDINYL)-PROPYL]-[2-
((2-OXO-2-((4-PHOSPHORIBOXY)-BUTYL)-
AMINO)-ETHYL)-THIO-ACETYL]-AMINO]BENZOYL]-
1-GLUTAMIC ACID		A,B1GAR0.71
NDLN-BENZOYL-L-NORLEUCYL-L-LYSYL-L-
ARGINYL-L-ARGININE		B2FP70.72
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL50.78
DHFDIHYDROFOLIC ACIDA1LCB0.78
DHFDIHYDROFOLIC ACIDA,B,C,D1MXH0.78
DHFDIHYDROFOLIC ACIDA2RK10.78
DHFDIHYDROFOLIC ACIDA1RF70.78
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL60.78
DHFDIHYDROFOLIC ACIDA1TYS0.78
BL6(3aS)-3a-hydroxy-7-methyl-1-phenyl-
1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-
b]quinolin-4-one		A3BZ80.74
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX60.76
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX50.76
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX40.76
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA,B1DYJ0.76
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RC40.76
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1U1J0.79
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2OGY0.79
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XPG0.79
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1TLS0.79
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B,C1ZP40.79
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2E7F0.79
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1TSN0.79
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2IDK0.79
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XR20.79
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1B020.79
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1Q8J0.79
AQO2-AMINOQUINAZOLIN-4(3H)-ONEA1S390.72
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
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B1KZI0.79
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7Z0.79
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3BHR0.79
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3GSI0.79
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7V0.79
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B3BHL0.79
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1U220.79
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDX2IJG0.79
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B2J4D0.79
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B1DNP0.79
TGF2-[4-(4-{4-[(2-AMINO-5-FORMYL-4-
OXO-3,4,5,6,7,8-HEXAHYDRO-PTERIDIN-
6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
4-CARBOXY-BUTYRYLAMINO)-4-CARBOXY-
BUTYRYLAMINO]-PENTANEDIOIC ACID		A,B,C,D1LS30.79
M384-(5,11-DIOXO-5H-INDENO[1,2-C]ISOQUINOLIN-
6(11H)-YL)BUTANOATE		A,C1SC70.7
BW2N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID		A,B,C,D1PL00.77
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1KCE0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1NCE0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F1KZJ0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDX2FTO0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TRG0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2TSC0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVU0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVV0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1FWM0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1BQ10.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL50.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AIQ0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DDU0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E1QZF0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1TDU0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZE0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8M0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E2OIP0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1CI70.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DNA0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1LCA0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZD0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1ZPR0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2AAZ0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8O0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVW0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL60.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AN50.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D2BFA0.81