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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01944323

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MAQ2-AMINO-8-METHYLQUINAZOLIN-4(3H)-
ONE
A1S380.77
B141-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-
DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-
QUINAZOLINE]-4'-AMINE
A,B3E7T0.71
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.7
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1KCE0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1NCE0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F1KZJ0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDX2FTO0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TRG0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2TSC0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVU0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVV0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1FWM0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1BQ10.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL50.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AIQ0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DDU0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E1QZF0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1TDU0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZE0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8M0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E2OIP0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1CI70.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DNA0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1LCA0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZD0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1ZPR0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2AAZ0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8O0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVW0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL60.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AN50.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D2BFA0.74
KMB2-AMINO-6-AMINOMETHYL-8-PHENYLSULFANYLMETHYL-
3H-QUINAZOLIN-4-ONE
A1Q660.71
LFNLUMIFLAVINA2CCC0.72
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE
A,B1FN20.71
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE
A,B1FN10.71
TC83-(2,6-difluorophenyl)-2-(methylthio)quinazolin-
4(3H)-one
A3G3N0.78
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID
A,B1TSD0.71
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID
A,B1SYN0.71
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID
A,B2VF00.71
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,E1SEJ0.71
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,D1F280.71
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID
A,B1TLC0.71
BL4(3aS)-3a-hydroxy-5-methyl-1-phenyl-
1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-
b]quinolin-4-one
A3BZ70.74
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA,B,C,D1EJI0.73
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA1U3G0.73
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA2TDD0.73
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,D1LS30.7
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1U1J0.73
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2OGY0.73
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XPG0.73
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1TLS0.73
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B,C1ZP40.73
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2E7F0.73
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1TSN0.73
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2IDK0.73
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XR20.73
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1B020.73
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1Q8J0.73
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B1KZI0.72
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7Z0.72
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3BHR0.72
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3GSI0.72
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7V0.72
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B3BHL0.72
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1U220.72
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.72
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1BJG0.72
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1JBW0.72
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1LCE0.72
BIT(-)-1-PHENYL-1,2,3,4-TETRAHYDRO-
4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN-
4-ONE
A1YV30.75
FRQ5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-
1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-
DIONE
A,B1UK10.78
7AD9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-
4-CARBOXAMIDE
A,B1RQY0.71
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDX2IJG0.7
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B2J4D0.7
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B1DNP0.7
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A,B3GEY0.72
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A3CE00.72
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A,B1XK90.72
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A2Q6M0.72
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A,B,C,D,E,F1ZM90.72
BL6(3aS)-3a-hydroxy-7-methyl-1-phenyl-
1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-
b]quinolin-4-one
A3BZ80.75
BL7(3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-
tetrahydro-4H-pyrrolo[2,3-b]quinolin-
4-one
A3BZ90.75
FONFOLINIC ACIDA,B1QD10.71
FONFOLINIC ACIDA,B2BLN0.71
FONFOLINIC ACIDA,B,C,D1VRQ0.71
FONFOLINIC ACIDA,B1KL20.71
FONFOLINIC ACIDA,B1XZQ0.71
XXZ1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-
1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-
4'-AMINE
A,B3E650.81
FRM2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO-
1(2H)-PYRIDINYL]PROPYL}-8-METHYL-
4(3H)-QUINAZOLINONE
A,B1UK00.84
NIXNALIDIXIC ACIDA,B2BQ20.7
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1EQB0.73
FFO5-FORMYL-6-HYDROFOLIC ACIDA1JOM0.73
FFO5-FORMYL-6-HYDROFOLIC ACIDA1PJ70.73
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1DFO0.73
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B2VMY0.73
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B1JOL0.73
FFO5-FORMYL-6-HYDROFOLIC ACIDA1WOP0.73
AQO2-AMINOQUINAZOLIN-4(3H)-ONEA1S390.75
CF4[4-(7,8-dimethyl-2,4-dioxo-3,4-
dihydrobenzo[g]pteridin-10(2H)-
yl)butyl]carbamic acid
A2VKG0.71
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
XX43-(2-AMINO-6-BENZOYLQUINAZOLIN-
3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE
A,B,C2Q110.85
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE
A,B1XCU0.74
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
38M3-(3-chlorophenyl)-2-({(1S)-1-[(6S)-
2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin-
4(3H)-one
A3F9N0.72
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID
A1ZLY0.78
1A25-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-
1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-
1-YLCARBONYL)PICOLINONITRILE
A,B3E6T0.77
PFG10-PARPARGYL-5,8-DIDEAZAFOLATE-
4-GLUTAMIC ACID
A,B2BBQ0.72
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID
A3G5R0.72
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID
A1WOO0.72
GIN2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-
YL)METHYL]AMINO}-N-[4-PROPYL-3-
(TRIFLUOROMETHYL)PHENYL]BENZAMIDE
A,B2HZ00.74
SY12-({2-[(3R)-3-AMINOPIPERIDIN-1-
YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE
A,B,C,D2ONC0.77
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL50.73
DHFDIHYDROFOLIC ACIDA1LCB0.73
DHFDIHYDROFOLIC ACIDA,B,C,D1MXH0.73
DHFDIHYDROFOLIC ACIDA2RK10.73
DHFDIHYDROFOLIC ACIDA1RF70.73
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL60.73
DHFDIHYDROFOLIC ACIDA1TYS0.73
TSNTRICHOSTATIN AA,B1T640.7
TSNTRICHOSTATIN AA,B1C3R0.7
TSNTRICHOSTATIN AA,B,C3F0R0.7
TSNTRICHOSTATIN AA,B,C3C100.7