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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01154783

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CF4[4-(7,8-dimethyl-2,4-dioxo-3,4-
dihydrobenzo[g]pteridin-10(2H)-
yl)butyl]carbamic acid		A2VKG0.72
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
FONFOLINIC ACIDA,B1QD10.78
FONFOLINIC ACIDA,B2BLN0.78
FONFOLINIC ACIDA,B,C,D1VRQ0.78
FONFOLINIC ACIDA,B1KL20.78
FONFOLINIC ACIDA,B1XZQ0.78
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1BJG0.75
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1JBW0.75
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1LCE0.75
FOLFOLIC ACIDA1PJ60.71
FOLFOLIC ACIDA,B1RD70.71
FOLFOLIC ACIDA,B1DHF0.71
FOLFOLIC ACIDA,B,C,D,E1QZF0.71
FOLFOLIC ACIDA4CD20.71
FOLFOLIC ACIDA1RX70.71
FOLFOLIC ACIDA1RX20.71
FOLFOLIC ACIDA1RX80.71
FOLFOLIC ACIDA1RA20.71
FOLFOLIC ACIDA,B1RE70.71
FOLFOLIC ACIDA7DFR0.71
FOLFOLIC ACIDA1VIF0.71
FOLFOLIC ACIDA,B1RB20.71
FOLFOLIC ACIDA1CD20.71
FOLFOLIC ACIDA2CD20.71
FOLFOLIC ACIDA,B1DYI0.71
FOLFOLIC ACIDA1DRF0.71
FOLFOLIC ACIDA,B,C,D3BMC0.71
FOLFOLIC ACIDA,B2D0K0.71
FOLFOLIC ACIDA1RA80.71
TC83-(2,6-difluorophenyl)-2-(methylthio)quinazolin-
4(3H)-one		A3G3N0.72
BHB2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)-
3H-QUINAZOLIN-4-ONE		A1Q650.75
D16TOMUDEXA,B1I000.74
D16TOMUDEXA,B2KCE0.74
D16TOMUDEXA,B,C,D2TSR0.74
D16TOMUDEXA,B,C,D1HVY0.74
D16TOMUDEXA,B1RTS0.74
SX34-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-
1-yl]carbonyl}aniline		A,B3CJ20.71
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDX2IJG0.75
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B2J4D0.75
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B1DNP0.75
RA4N-(4-NITROBENZOYL)-L-LEUCYL-N-(4-
{[AMINO(IMINO)METHYL]AMINO}BUTYL)-
L-PROLINAMIDE		H,I1YPM0.71
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID		A1ZLY0.81
MAQ2-AMINO-8-METHYLQUINAZOLIN-4(3H)-
ONE		A1S380.74
SX54-[(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-
1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid		A,B3CJ40.73
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1EQB0.79
FFO5-FORMYL-6-HYDROFOLIC ACIDA1JOM0.79
FFO5-FORMYL-6-HYDROFOLIC ACIDA1PJ70.79
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1DFO0.79
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B2VMY0.79
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B1JOL0.79
FFO5-FORMYL-6-HYDROFOLIC ACIDA1WOP0.79
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
BFBN-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDEA2DW50.73
TFI2-[5-METHANESULFONYLAMINO-2-(4-
AMINOPHENYL)-6-OXO-1,6-DIHYDRO-
1-PYRIMIDINYL]-N-(3,3,3-TRIFLUORO-
1-ISOPROPYL-2-OXOPROPYL)ACETAMIDE		A1EAT0.73
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B1KZI0.78
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7Z0.78
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3BHR0.78
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3GSI0.78
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7V0.78
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B3BHL0.78
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1U220.78
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		A3BGX0.75
FRM2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO-
1(2H)-PYRIDINYL]PROPYL}-8-METHYL-
4(3H)-QUINAZOLINONE		A,B1UK00.81
APQ2,6-DIAMINO-8-PROPYLSULFANYLMETHYL-
3H-QUINAZOLINE-4-ONE		A1K4H0.73
DZF5-DEAZAFOLIC ACIDA,B2DHF0.7
DZF5-DEAZAFOLIC ACIDA,B1DYH0.7
DZF5-DEAZAFOLIC ACIDA,B,C,D1CDE0.7
XXZ1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-
1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-
4'-AMINE		A,B3E650.76
RPRA1F0U0.71
RPRA1EZQ0.71
NU18-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-
4-ONE		A4PAX0.71
ICL[1-(3-CHLORO-2-FORMYL-PHENYLCARBAMOYL)-
2-METHYL-PROPYL]-CARBAMIC ACID TERT-
BUTYL ESTER		A1INC0.71
XX43-(2-AMINO-6-BENZOYLQUINAZOLIN-
3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE		A,B,C2Q110.77
1556-[(Z)-AMINO(IMINO)METHYL]-N-(1-
ISOPROPYL-3,4-DIHYDROISOQUINOLIN-
7-YL)-2-NAPHTHAMIDE		A1OWJ0.7
PFG10-PARPARGYL-5,8-DIDEAZAFOLATE-
4-GLUTAMIC ACID		A,B2BBQ0.74
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
GIN2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-
YL)METHYL]AMINO}-N-[4-PROPYL-3-
(TRIFLUOROMETHYL)PHENYL]BENZAMIDE		A,B2HZ00.72
BW2N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID		A,B,C,D1PL00.74
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE		A,B1XCU0.7
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
W22[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-
1H-1,4-benzodiazepin-2-yl]acetic acid		A,B2WKW0.7
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,D1LS30.76
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA,B,C,D1EJI0.79
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA1U3G0.79
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA2TDD0.79
AQO2-AMINOQUINAZOLIN-4(3H)-ONEA1S390.77
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1TSD0.74
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1SYN0.74
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B2VF00.74
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,E1SEJ0.74
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,D1F280.74
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1TLC0.74
SY12-({2-[(3R)-3-AMINOPIPERIDIN-1-
YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE		A,B,C,D2ONC0.78
NHS10-FORMYL-5,8,10-TRIDEAZAFOLIC ACIDA,B1C2T0.77
38M3-(3-chlorophenyl)-2-({(1S)-1-[(6S)-
2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin-
4(3H)-one		A3F9N0.7
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A3G5R0.77
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A1WOO0.77