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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02439136

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NHS10-FORMYL-5,8,10-TRIDEAZAFOLIC ACIDA,B1C2T0.83
H4Z5-(4-{[1-(2-AMINO-5-FORMYL-7-METHYL-
4-OXO-3,4,5,6,7,8-HEXAHYDROPTERIDIN-
6-YL)ETHYL]AMINO}PHENYL)-5-DEOXY-
1-O-{5-O-[(1,3-DICARBOXYPROPOXY)(HYDROXY)PHOSPHORYL]PENTOFURANOSYL}PENTITOL		A,B,C,D2FHJ0.71
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA,B,C,D1EJI0.92
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA1U3G0.92
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA2TDD0.92
L37A,B1DIG0.74
CST[[PHENYLALANINE-CARBONYL-AMINO-
2-(2-AMINO-1,4,5,6-TETRAHYDRO-PYRIMIDIN-
4-YL)-1-ACETALDEHYDYL]-2-ISOBUTYL-
GLYCYL]PHENYLALANINE		A,B1BCS0.7
CST[[PHENYLALANINE-CARBONYL-AMINO-
2-(2-AMINO-1,4,5,6-TETRAHYDRO-PYRIMIDIN-
4-YL)-1-ACETALDEHYDYL]-2-ISOBUTYL-
GLYCYL]PHENYLALANINE		A1SGC0.7
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1U1J0.97
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2OGY0.97
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XPG0.97
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1TLS0.97
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B,C1ZP40.97
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2E7F0.97
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1TSN0.97
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2IDK0.97
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XR20.97
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1B020.97
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1Q8J0.97
BW2N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID		A,B,C,D1PL00.8
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDX2IJG0.92
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B2J4D0.92
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B1DNP0.92
FONFOLINIC ACIDA,B1QD10.95
FONFOLINIC ACIDA,B2BLN0.95
FONFOLINIC ACIDA,B,C,D1VRQ0.95
FONFOLINIC ACIDA,B1KL20.95
FONFOLINIC ACIDA,B1XZQ0.95
4HFN-[(5-{2-[(6R)-2-AMINO-4-OXO-3,4,5,6,7,8-
HEXAHYDROPYRIDO[2,3-D]PYRIMIDIN-
6-YL]ETHYL}-2-THIENYL)CARBONYL]-
L-GLUTAMIC ACID		A,B,C2FMN0.75
23IN-[(1S,2S,4R)-2-HYDROXY-1-ISOBUTYL-
5-({(1S)-1-[(ISOPROPYLAMINO)CARBONYL]-
2-METHYLPROPYL}AMINO)-4-METHYL-
5-OXOPENTYL]-5-[METHYL(METHYLSULFONYL)AMINO]-
N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE		A,B,C,D2P4J0.71
RA21-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-
5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-
2-ONE		A1B9V0.7
FOLFOLIC ACIDA1PJ60.79
FOLFOLIC ACIDA,B1RD70.79
FOLFOLIC ACIDA,B1DHF0.79
FOLFOLIC ACIDA,B,C,D,E1QZF0.79
FOLFOLIC ACIDA4CD20.79
FOLFOLIC ACIDA1RX70.79
FOLFOLIC ACIDA1RX20.79
FOLFOLIC ACIDA1RX80.79
FOLFOLIC ACIDA1RA20.79
FOLFOLIC ACIDA,B1RE70.79
FOLFOLIC ACIDA7DFR0.79
FOLFOLIC ACIDA1VIF0.79
FOLFOLIC ACIDA,B1RB20.79
FOLFOLIC ACIDA1CD20.79
FOLFOLIC ACIDA2CD20.79
FOLFOLIC ACIDA,B1DYI0.79
FOLFOLIC ACIDA1DRF0.79
FOLFOLIC ACIDA,B,C,D3BMC0.79
FOLFOLIC ACIDA,B2D0K0.79
FOLFOLIC ACIDA1RA80.79
XXZ1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-
1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-
4'-AMINE		A,B3E650.72
MNIN-{[(2R,3R,4R,5R)-3,4-DIHYDROXY-
5-(HYDROXYMETHYL)PYRROLIDIN-2-YL]METHYL}-
4-(DIMETHYLAMINO)BENZAMIDE		A,B2OYM0.7
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,D1LS30.93
YC2N-{[(1S)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}-
L-glutamic acid		A3D7H0.72
VG5N-[(1S,2R)-1-benzyl-3-{[(1S)-2-
(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-
2-hydroxypropyl]-3-(ethylamino)-
5-(2-oxo-2,3-dihydro-1H-pyrrol-
1-yl)benzamide		A2VJ60.71
CF4[4-(7,8-dimethyl-2,4-dioxo-3,4-
dihydrobenzo[g]pteridin-10(2H)-
yl)butyl]carbamic acid		A2VKG0.74
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		A3BGX0.93
DZF5-DEAZAFOLIC ACIDA,B2DHF0.8
DZF5-DEAZAFOLIC ACIDA,B1DYH0.8
DZF5-DEAZAFOLIC ACIDA,B,C,D1CDE0.8
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.7
D16TOMUDEXA,B1I000.77
D16TOMUDEXA,B2KCE0.77
D16TOMUDEXA,B,C,D2TSR0.77
D16TOMUDEXA,B,C,D1HVY0.77
D16TOMUDEXA,B1RTS0.77
IBA4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-
5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID		A1VCJ0.7
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1TSD0.8
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1SYN0.8
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B2VF00.8
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,E1SEJ0.8
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,D1F280.8
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1TLC0.8
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B1KZI0.97
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7Z0.97
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3BHR0.97
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3GSI0.97
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7V0.97
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B3BHL0.97
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1U220.97
MTXMETHOTREXATEA,B1DRB0.71
MTXMETHOTREXATEA,B,C,D2C7V0.71
MTXMETHOTREXATEA1U700.71
MTXMETHOTREXATEA,B,C,D1MXF0.71
MTXMETHOTREXATEA2QK80.71
MTXMETHOTREXATEA,B1RB30.71
MTXMETHOTREXATEA,B1DHJ0.71
MTXMETHOTREXATEA3DAU0.71
MTXMETHOTREXATEA1U720.71
MTXMETHOTREXATEA,B2DRC0.71
MTXMETHOTREXATEA,B1D1G0.71
MTXMETHOTREXATEA,B1DDR0.71
MTXMETHOTREXATEA,B1E7W0.71
MTXMETHOTREXATEA1RX30.71
MTXMETHOTREXATEA3DFR0.71
MTXMETHOTREXATEA,B,C,D1P330.71
MTXMETHOTREXATEA3DAT0.71
MTXMETHOTREXATEA,B1DHI0.71
MTXMETHOTREXATEA,B1TDR0.71
MTXMETHOTREXATEA,B1DRA0.71
MTXMETHOTREXATEA3EIG0.71
MTXMETHOTREXATEA3CD20.71
MTXMETHOTREXATEA1AO80.71
MTXMETHOTREXATEA1DF70.71
MTXMETHOTREXATEA1DLS0.71
MTXMETHOTREXATEA1RG70.71
MTXMETHOTREXATEA1RH30.71
MTXMETHOTREXATEA,B4DFR0.71
MTXMETHOTREXATEA1RA30.71
MTXMETHOTREXATEA,B1DDS0.71
MTXMETHOTREXATEA1DRE0.71
MTXMETHOTREXATEA,B1AXW0.71
MTXMETHOTREXATEA3CL90.71
MTXMETHOTREXATEA,B3DRC0.71
MTXMETHOTREXATEA,B,C,D,E2OIP0.71
PFG10-PARPARGYL-5,8-DIDEAZAFOLATE-
4-GLUTAMIC ACID		A,B2BBQ0.85
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID		A1ZLY0.85
SY12-({2-[(3R)-3-AMINOPIPERIDIN-1-
YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE		A,B,C,D2ONC0.73
THHN-[4-({[(6S)-2-AMINO-4-HYDROXY-
5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-
6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID		A,B3DCJ0.73
THHN-[4-({[(6S)-2-AMINO-4-HYDROXY-
5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-
6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID		A,B1WSV0.73
4DP3-[5-(DIMETHYLAMINO)-1,3-DIOXO-
1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L-
ALANINE		C2IPK0.7
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
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1BJG0.9
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1JBW0.9
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1LCE0.9
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1EQB0.92
FFO5-FORMYL-6-HYDROFOLIC ACIDA1JOM0.92
FFO5-FORMYL-6-HYDROFOLIC ACIDA1PJ70.92
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1DFO0.92
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B2VMY0.92
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B1JOL0.92
FFO5-FORMYL-6-HYDROFOLIC ACIDA1WOP0.92
L344-(7-AMINO-9-HYDROXY-1-OXO-3,3A,4,5-
TETRAHYDRO-2,5,6,8,9B-PENTAAZA-
CYCLOPENTA[A]NAPHTHALEN-2-YL)-PHENYLCARBONYL-
GLUTAMIC ACID		A,B1DIB0.71
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE		A1SLN0.77
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE		A2SRT0.77
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE		A3BG80.77
RA4N-(4-NITROBENZOYL)-L-LEUCYL-N-(4-
{[AMINO(IMINO)METHYL]AMINO}BUTYL)-
L-PROLINAMIDE		H,I1YPM0.7
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A3G5R0.95
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A1WOO0.95
RAI1-(4-CARBOXY-2-GUANIDINOPENTYL)-
5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-
2-ONE		A1B9T0.71
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL50.93
DHFDIHYDROFOLIC ACIDA1LCB0.93
DHFDIHYDROFOLIC ACIDA,B,C,D1MXH0.93
DHFDIHYDROFOLIC ACIDA2RK10.93
DHFDIHYDROFOLIC ACIDA1RF70.93
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL60.93
DHFDIHYDROFOLIC ACIDA1TYS0.93
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX60.83
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX50.83
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX40.83
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA,B1DYJ0.83
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RC40.83
XX43-(2-AMINO-6-BENZOYLQUINAZOLIN-
3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE		A,B,C2Q110.74
4464-[(4-{[6-bromo-3-(methoxycarbonyl)-
1-oxo-4-phenylisoquinolin-2(1H)-
yl]methyl}phenyl)amino]-4-oxobutanoic acid		A2ZDU0.7
MT1N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM-
6-YL)METHYL](METHYL)AMINO}BENZOYL)-
L-GLUTAMIC ACID		A,B2INQ0.7
NDLN-BENZOYL-L-NORLEUCYL-L-LYSYL-L-
ARGINYL-L-ARGININE		B2FP70.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1KCE0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1NCE0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F1KZJ0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDX2FTO0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TRG0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2TSC0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVU0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVV0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1FWM0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1BQ10.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL50.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AIQ0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DDU0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E1QZF0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1TDU0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZE0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8M0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E2OIP0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1CI70.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DNA0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1LCA0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZD0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1ZPR0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2AAZ0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8O0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVW0.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL60.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AN50.88
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D2BFA0.88
U89N-[4-[[3-(2,4-DIAMINO-1,6-DIHYDRO-
6-OXO-4-PYRIMIDINYL)-PROPYL]-[2-
((2-OXO-2-((4-PHOSPHORIBOXY)-BUTYL)-
AMINO)-ETHYL)-THIO-ACETYL]-AMINO]BENZOYL]-
1-GLUTAMIC ACID		A,B1GAR0.83