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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00331297

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID		A1ZLY0.8
GIN2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-
YL)METHYL]AMINO}-N-[4-PROPYL-3-
(TRIFLUOROMETHYL)PHENYL]BENZAMIDE		A,B2HZ00.71
KMB2-AMINO-6-AMINOMETHYL-8-PHENYLSULFANYLMETHYL-
3H-QUINAZOLIN-4-ONE		A1Q660.76
XX43-(2-AMINO-6-BENZOYLQUINAZOLIN-
3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE		A,B,C2Q110.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1KCE0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1NCE0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F1KZJ0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDX2FTO0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TRG0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2TSC0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVU0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVV0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1FWM0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1BQ10.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL50.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AIQ0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DDU0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E1QZF0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1TDU0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZE0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8M0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E2OIP0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1CI70.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DNA0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1LCA0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZD0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1ZPR0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2AAZ0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8O0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVW0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL60.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AN50.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D2BFA0.75
APQ2,6-DIAMINO-8-PROPYLSULFANYLMETHYL-
3H-QUINAZOLINE-4-ONE		A1K4H0.78
FRQ5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-
1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-
DIONE		A,B1UK10.73
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,D1LS30.74
FONFOLINIC ACIDA,B1QD10.75
FONFOLINIC ACIDA,B2BLN0.75
FONFOLINIC ACIDA,B,C,D1VRQ0.75
FONFOLINIC ACIDA,B1KL20.75
FONFOLINIC ACIDA,B1XZQ0.75
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDX2IJG0.72
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B2J4D0.72
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B1DNP0.72
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
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA,B,C,D1EJI0.72
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA1U3G0.72
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA2TDD0.72
AQO2-AMINOQUINAZOLIN-4(3H)-ONEA1S390.88
G3E3-hydroxyquinolin-2(1H)-oneA,B,C,D3G3E0.71
NHS10-FORMYL-5,8,10-TRIDEAZAFOLIC ACIDA,B1C2T0.76
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		A3BGX0.73
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1EQB0.71
FFO5-FORMYL-6-HYDROFOLIC ACIDA1JOM0.71
FFO5-FORMYL-6-HYDROFOLIC ACIDA1PJ70.71
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1DFO0.71
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B2VMY0.71
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B1JOL0.71
FFO5-FORMYL-6-HYDROFOLIC ACIDA1WOP0.71
XXZ1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-
1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-
4'-AMINE		A,B3E650.74
TC83-(2,6-difluorophenyl)-2-(methylthio)quinazolin-
4(3H)-one		A3G3N0.73
BHB2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)-
3H-QUINAZOLIN-4-ONE		A1Q650.8
NBXN-{[(4-aminophenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine		A2QN90.71
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM		H,L,X,Y1UWG0.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3F060.7
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3EZP0.7
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A3EW80.7
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3EZT0.7
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A1T670.7
NU18-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-
4-ONE		A4PAX0.71
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A3G5R0.75
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A1WOO0.75
FRM2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO-
1(2H)-PYRIDINYL]PROPYL}-8-METHYL-
4(3H)-QUINAZOLINONE		A,B1UK00.75
MRA2-[(4-ETHYNYL-2-FLUOROPHENYL)AMINO]-
3,4-DIFLUORO-N-(2-HYDROXYETHOXY)BENZAMIDE		A2P550.71
BW2N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID		A,B,C,D1PL00.74
BAGN-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)-
2-HYDROXYVINYL]BENZAMIDE		A1WDA0.75
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX60.71
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX50.71
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX40.71
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA,B1DYJ0.71
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RC40.71
MAQ2-AMINO-8-METHYLQUINAZOLIN-4(3H)-
ONE		A1S380.82
SY12-({2-[(3R)-3-AMINOPIPERIDIN-1-
YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE		A,B,C,D2ONC0.78
PFG10-PARPARGYL-5,8-DIDEAZAFOLATE-
4-GLUTAMIC ACID		A,B2BBQ0.72
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.71
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
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B1KZI0.76
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7Z0.76
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3BHR0.76
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3GSI0.76
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7V0.76
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B3BHL0.76
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1U220.76