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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01906721

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NII2,7-bis[3-(dimethylamino)propyl]-
4,9-bis[(3-hydroxypropyl)amino]benzo[lmn][3,8]phenanthroline-
1,3,6,8(2H,7H)-tetrone		A,B3CDM0.7
NII2,7-bis[3-(dimethylamino)propyl]-
4,9-bis[(3-hydroxypropyl)amino]benzo[lmn][3,8]phenanthroline-
1,3,6,8(2H,7H)-tetrone		A3CCO0.7
D16TOMUDEXA,B1I000.73
D16TOMUDEXA,B2KCE0.73
D16TOMUDEXA,B,C,D2TSR0.73
D16TOMUDEXA,B,C,D1HVY0.73
D16TOMUDEXA,B1RTS0.73
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B1KZI0.74
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7Z0.74
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3BHR0.74
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3GSI0.74
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7V0.74
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B3BHL0.74
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1U220.74
XXZ1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-
1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-
4'-AMINE		A,B3E650.78
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID		A1ZLY0.8
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,D1LS30.73
FRQ5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-
1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-
DIONE		A,B1UK10.74
GIN2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-
YL)METHYL]AMINO}-N-[4-PROPYL-3-
(TRIFLUOROMETHYL)PHENYL]BENZAMIDE		A,B2HZ00.76
MRA2-[(4-ETHYNYL-2-FLUOROPHENYL)AMINO]-
3,4-DIFLUORO-N-(2-HYDROXYETHOXY)BENZAMIDE		A2P550.72
KMB2-AMINO-6-AMINOMETHYL-8-PHENYLSULFANYLMETHYL-
3H-QUINAZOLIN-4-ONE		A1Q660.71
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA,B,C,D1EJI0.75
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA1U3G0.75
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA2TDD0.75
BIT(-)-1-PHENYL-1,2,3,4-TETRAHYDRO-
4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN-
4-ONE		A1YV30.78
VG0N-{(1S,2R)-1-benzyl-2-hydroxy-3-
[(1,1,5-trimethylhexyl)amino]propyl}-
3-(ethylamino)-5-(2-oxopyrrolidin-
1-yl)benzamide		A2VIE0.71
2396-[(Z)-AMINO(IMINO)METHYL]-N-[4-
(AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE		A1OWH0.71
CF4[4-(7,8-dimethyl-2,4-dioxo-3,4-
dihydrobenzo[g]pteridin-10(2H)-
yl)butyl]carbamic acid		A2VKG0.7
RS31-deoxy-1-[8-(dimethylamino)-7-
methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-
10(2H)-yl]-D-ribitol		X,Y3F4H0.7
FRM2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO-
1(2H)-PYRIDINYL]PROPYL}-8-METHYL-
4(3H)-QUINAZOLINONE		A,B1UK00.8
XX43-(2-AMINO-6-BENZOYLQUINAZOLIN-
3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE		A,B,C2Q110.79
SX6N-(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-
1-yl]carbonyl}phenyl)-4-morpholin-
4-yl-4-oxobutanamide		A,B3CJ50.71
BW2N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID		A,B,C,D1PL00.71
CRIA,B1VKG0.7
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1U1J0.75
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2OGY0.75
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XPG0.75
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1TLS0.75
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B,C1ZP40.75
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2E7F0.75
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1TSN0.75
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2IDK0.75
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XR20.75
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1B020.75
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1Q8J0.75
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
FONFOLINIC ACIDA,B1QD10.74
FONFOLINIC ACIDA,B2BLN0.74
FONFOLINIC ACIDA,B,C,D1VRQ0.74
FONFOLINIC ACIDA,B1KL20.74
FONFOLINIC ACIDA,B1XZQ0.74
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1EQB0.74
FFO5-FORMYL-6-HYDROFOLIC ACIDA1JOM0.74
FFO5-FORMYL-6-HYDROFOLIC ACIDA1PJ70.74
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1DFO0.74
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B2VMY0.74
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B1JOL0.74
FFO5-FORMYL-6-HYDROFOLIC ACIDA1WOP0.74
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.71
PFG10-PARPARGYL-5,8-DIDEAZAFOLATE-
4-GLUTAMIC ACID		A,B2BBQ0.75
VG7N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)-
2-hydroxypropyl]-3-(ethylamino)-
5-(2-oxopyrrolidin-1-yl)benzamide		A2VJ90.73
SY12-({2-[(3R)-3-AMINOPIPERIDIN-1-
YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE		A,B,C,D2ONC0.75
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A3G5R0.74
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A1WOO0.74
NHS10-FORMYL-5,8,10-TRIDEAZAFOLIC ACIDA,B1C2T0.73
38M3-(3-chlorophenyl)-2-({(1S)-1-[(6S)-
2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin-
4(3H)-one		A3F9N0.73
AQO2-AMINOQUINAZOLIN-4(3H)-ONEA1S390.75
MAQ2-AMINO-8-METHYLQUINAZOLIN-4(3H)-
ONE		A1S380.76
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		A3BGX0.71
BL4(3aS)-3a-hydroxy-5-methyl-1-phenyl-
1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-
b]quinolin-4-one		A3BZ70.76
BHB2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)-
3H-QUINAZOLIN-4-ONE		A1Q650.71
1556-[(Z)-AMINO(IMINO)METHYL]-N-(1-
ISOPROPYL-3,4-DIHYDROISOQUINOLIN-
7-YL)-2-NAPHTHAMIDE		A1OWJ0.74
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1BJG0.71
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1JBW0.71
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1LCE0.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3F060.73
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3EZP0.73
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A3EW80.73
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3EZT0.73
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A1T670.73
1A25-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-
1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-
1-YLCARBONYL)PICOLINONITRILE		A,B3E6T0.72
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE		A,B1XCU0.73
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL50.75
DHFDIHYDROFOLIC ACIDA1LCB0.75
DHFDIHYDROFOLIC ACIDA,B,C,D1MXH0.75
DHFDIHYDROFOLIC ACIDA2RK10.75
DHFDIHYDROFOLIC ACIDA1RF70.75
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL60.75
DHFDIHYDROFOLIC ACIDA1TYS0.75
BL6(3aS)-3a-hydroxy-7-methyl-1-phenyl-
1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-
b]quinolin-4-one		A3BZ80.77
BL7(3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-
tetrahydro-4H-pyrrolo[2,3-b]quinolin-
4-one		A3BZ90.77
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDX2IJG0.71
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B2J4D0.71
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B1DNP0.71
TC83-(2,6-difluorophenyl)-2-(methylthio)quinazolin-
4(3H)-one		A3G3N0.8
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