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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02220098

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
DZF5-DEAZAFOLIC ACIDA,B2DHF0.71
DZF5-DEAZAFOLIC ACIDA,B1DYH0.71
DZF5-DEAZAFOLIC ACIDA,B,C,D1CDE0.71
MAQ2-AMINO-8-METHYLQUINAZOLIN-4(3H)-
ONE		A1S380.72
TC83-(2,6-difluorophenyl)-2-(methylthio)quinazolin-
4(3H)-one		A3G3N0.77
BIT(-)-1-PHENYL-1,2,3,4-TETRAHYDRO-
4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN-
4-ONE		A1YV30.77
KMB2-AMINO-6-AMINOMETHYL-8-PHENYLSULFANYLMETHYL-
3H-QUINAZOLIN-4-ONE		A1Q660.71
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1U1J0.77
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2OGY0.77
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XPG0.77
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1TLS0.77
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B,C1ZP40.77
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2E7F0.77
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1TSN0.77
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2IDK0.77
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XR20.77
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1B020.77
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1Q8J0.77
D16TOMUDEXA,B1I000.74
D16TOMUDEXA,B2KCE0.74
D16TOMUDEXA,B,C,D2TSR0.74
D16TOMUDEXA,B,C,D1HVY0.74
D16TOMUDEXA,B1RTS0.74
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1BJG0.74
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1JBW0.74
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1LCE0.74
LZQ4-[3-(dibenzylamino)phenyl]-2,4-
dioxobutanoic acid		A3EB10.71
NU18-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-
4-ONE		A4PAX0.72
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDX2IJG0.73
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B2J4D0.73
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B1DNP0.73
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1TSD0.76
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
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE		A,B1XCU0.71
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,D1LS30.74
XX43-(2-AMINO-6-BENZOYLQUINAZOLIN-
3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE		A,B,C2Q110.79
NHS10-FORMYL-5,8,10-TRIDEAZAFOLIC ACIDA,B1C2T0.79
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		A3BGX0.74
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B1KZI0.77
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7Z0.77
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3BHR0.77
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3GSI0.77
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7V0.77
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B3BHL0.77
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1U220.77
SX54-[(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-
1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid		A,B3CJ40.73
FRQ5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-
1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-
DIONE		A,B1UK10.72
SY12-({2-[(3R)-3-AMINOPIPERIDIN-1-
YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE		A,B,C,D2ONC0.76
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A3G5R0.76
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A1WOO0.76
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA,B,C,D1EJI0.77
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA1U3G0.77
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA2TDD0.77
BHB2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)-
3H-QUINAZOLIN-4-ONE		A1Q650.72
AQO2-AMINOQUINAZOLIN-4(3H)-ONEA1S390.76
FRM2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO-
1(2H)-PYRIDINYL]PROPYL}-8-METHYL-
4(3H)-QUINAZOLINONE		A,B1UK00.81
BL4(3aS)-3a-hydroxy-5-methyl-1-phenyl-
1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-
b]quinolin-4-one		A3BZ70.77
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID		A1ZLY0.85
XXZ1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-
1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-
4'-AMINE		A,B3E650.76
FONFOLINIC ACIDA,B1QD10.76
FONFOLINIC ACIDA,B2BLN0.76
FONFOLINIC ACIDA,B,C,D1VRQ0.76
FONFOLINIC ACIDA,B1KL20.76
FONFOLINIC ACIDA,B1XZQ0.76
GF7(3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-
3-carboxylic acid		A3GQZ0.71
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
M384-(5,11-DIOXO-5H-INDENO[1,2-C]ISOQUINOLIN-
6(11H)-YL)BUTANOATE		A,C1SC70.74
GIN2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-
YL)METHYL]AMINO}-N-[4-PROPYL-3-
(TRIFLUOROMETHYL)PHENYL]BENZAMIDE		A,B2HZ00.72
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1KCE0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1NCE0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F1KZJ0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDX2FTO0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TRG0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2TSC0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVU0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVV0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1FWM0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1BQ10.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL50.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AIQ0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DDU0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E1QZF0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1TDU0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZE0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8M0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E2OIP0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1CI70.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DNA0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1LCA0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZD0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1ZPR0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2AAZ0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8O0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVW0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL60.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AN50.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D2BFA0.8
BL6(3aS)-3a-hydroxy-7-methyl-1-phenyl-
1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-
b]quinolin-4-one		A3BZ80.78
BL7(3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-
tetrahydro-4H-pyrrolo[2,3-b]quinolin-
4-one		A3BZ90.78
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
PFG10-PARPARGYL-5,8-DIDEAZAFOLATE-
4-GLUTAMIC ACID		A,B2BBQ0.77
BW2N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID		A,B,C,D1PL00.77
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.71