MMsINC Database Search
logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03078984

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDX2IJG0.93
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B2J4D0.93
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B1DNP0.93
NHS10-FORMYL-5,8,10-TRIDEAZAFOLIC ACIDA,B1C2T0.83
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3F060.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3EZP0.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A3EW80.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3EZT0.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A1T670.71
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE		A1SLN0.76
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE		A2SRT0.76
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE		A3BG80.76
L37A,B1DIG0.74
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,C2FMN0.74
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA,B,C,D1EJI0.93
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA1U3G0.93
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA2TDD0.93
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B1KZI0.96
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7Z0.96
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3BHR0.96
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3GSI0.96
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7V0.96
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B3BHL0.96
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1U220.96
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.7
DZF5-DEAZAFOLIC ACIDA,B2DHF0.81
DZF5-DEAZAFOLIC ACIDA,B1DYH0.81
DZF5-DEAZAFOLIC ACIDA,B,C,D1CDE0.81
BW2N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID		A,B,C,D1PL00.8
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
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1TSD0.81
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1SYN0.81
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B2VF00.81
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,E1SEJ0.81
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,D1F280.81
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1TLC0.81
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX60.86
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX50.86
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX40.86
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA,B1DYJ0.86
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RC40.86
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1BJG0.92
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1JBW0.92
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1LCE0.92
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
YC2N-{[(1S)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}-
L-glutamic acid		A3D7H0.75
SY12-({2-[(3R)-3-AMINOPIPERIDIN-1-
YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE		A,B,C,D2ONC0.71
XXZ1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-
1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-
4'-AMINE		A,B3E650.73
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		A3BGX0.92
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,D1LS30.91
MT1N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM-
6-YL)METHYL](METHYL)AMINO}BENZOYL)-
L-GLUTAMIC ACID		A,B2INQ0.71
CF4[4-(7,8-dimethyl-2,4-dioxo-3,4-
dihydrobenzo[g]pteridin-10(2H)-
yl)butyl]carbamic acid		A2VKG0.73
FOLFOLIC ACIDA1PJ60.82
FOLFOLIC ACIDA,B1RD70.82
FOLFOLIC ACIDA,B1DHF0.82
FOLFOLIC ACIDA,B,C,D,E1QZF0.82
FOLFOLIC ACIDA4CD20.82
FOLFOLIC ACIDA1RX70.82
FOLFOLIC ACIDA1RX20.82
FOLFOLIC ACIDA1RX80.82
FOLFOLIC ACIDA1RA20.82
FOLFOLIC ACIDA,B1RE70.82
FOLFOLIC ACIDA7DFR0.82
FOLFOLIC ACIDA1VIF0.82
FOLFOLIC ACIDA,B1RB20.82
FOLFOLIC ACIDA1CD20.82
FOLFOLIC ACIDA2CD20.82
FOLFOLIC ACIDA,B1DYI0.82
FOLFOLIC ACIDA1DRF0.82
FOLFOLIC ACIDA,B,C,D3BMC0.82
FOLFOLIC ACIDA,B2D0K0.82
FOLFOLIC ACIDA1RA80.82
FONFOLINIC ACIDA,B1QD10.96
FONFOLINIC ACIDA,B2BLN0.96
FONFOLINIC ACIDA,B,C,D1VRQ0.96
FONFOLINIC ACIDA,B1KL20.96
FONFOLINIC ACIDA,B1XZQ0.96
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL51
DHFDIHYDROFOLIC ACIDA1LCB1
DHFDIHYDROFOLIC ACIDA,B,C,D1MXH1
DHFDIHYDROFOLIC ACIDA2RK11
DHFDIHYDROFOLIC ACIDA1RF71
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL61
DHFDIHYDROFOLIC ACIDA1TYS1
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
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,B1GAR0.81
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
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1EQB0.93
FFO5-FORMYL-6-HYDROFOLIC ACIDA1JOM0.93
FFO5-FORMYL-6-HYDROFOLIC ACIDA1PJ70.93
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1DFO0.93
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B2VMY0.93
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B1JOL0.93
FFO5-FORMYL-6-HYDROFOLIC ACIDA1WOP0.93
4DP3-[5-(DIMETHYLAMINO)-1,3-DIOXO-
1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L-
ALANINE		C2IPK0.7
CST[[PHENYLALANINE-CARBONYL-AMINO-
2-(2-AMINO-1,4,5,6-TETRAHYDRO-PYRIMIDIN-
4-YL)-1-ACETALDEHYDYL]-2-ISOBUTYL-
GLYCYL]PHENYLALANINE		A,B1BCS0.71
CST[[PHENYLALANINE-CARBONYL-AMINO-
2-(2-AMINO-1,4,5,6-TETRAHYDRO-PYRIMIDIN-
4-YL)-1-ACETALDEHYDYL]-2-ISOBUTYL-
GLYCYL]PHENYLALANINE		A1SGC0.71
KAFN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-phenylalanine		A3BKK0.7
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
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1U1J0.94
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2OGY0.94
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XPG0.94
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1TLS0.94
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B,C1ZP40.94
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2E7F0.94
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1TSN0.94
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2IDK0.94
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XR20.94
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1B020.94
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1Q8J0.94
MTXMETHOTREXATEA,B1DRB0.73
MTXMETHOTREXATEA,B,C,D2C7V0.73
MTXMETHOTREXATEA1U700.73
MTXMETHOTREXATEA,B,C,D1MXF0.73
MTXMETHOTREXATEA2QK80.73
MTXMETHOTREXATEA,B1RB30.73
MTXMETHOTREXATEA,B1DHJ0.73
MTXMETHOTREXATEA3DAU0.73
MTXMETHOTREXATEA1U720.73
MTXMETHOTREXATEA,B2DRC0.73
MTXMETHOTREXATEA,B1D1G0.73
MTXMETHOTREXATEA,B1DDR0.73
MTXMETHOTREXATEA,B1E7W0.73
MTXMETHOTREXATEA1RX30.73
MTXMETHOTREXATEA3DFR0.73
MTXMETHOTREXATEA,B,C,D1P330.73
MTXMETHOTREXATEA3DAT0.73
MTXMETHOTREXATEA,B1DHI0.73
MTXMETHOTREXATEA,B1TDR0.73
MTXMETHOTREXATEA,B1DRA0.73
MTXMETHOTREXATEA3EIG0.73
MTXMETHOTREXATEA3CD20.73
MTXMETHOTREXATEA1AO80.73
MTXMETHOTREXATEA1DF70.73
MTXMETHOTREXATEA1DLS0.73
MTXMETHOTREXATEA1RG70.73
MTXMETHOTREXATEA1RH30.73
MTXMETHOTREXATEA,B4DFR0.73
MTXMETHOTREXATEA1RA30.73
MTXMETHOTREXATEA,B1DDS0.73
MTXMETHOTREXATEA1DRE0.73
MTXMETHOTREXATEA,B1AXW0.73
MTXMETHOTREXATEA3CL90.73
MTXMETHOTREXATEA,B3DRC0.73
MTXMETHOTREXATEA,B,C,D,E2OIP0.73
LYA2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-
3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-
ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID		A,B,C,D1JUJ0.71
LYA2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-
3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-
ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID		A,B,C,D1JU60.71
XX43-(2-AMINO-6-BENZOYLQUINAZOLIN-
3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE		A,B,C2Q110.73
26BO-tert-butyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]-L-threonine		A,B3DDS0.71
NDLN-BENZOYL-L-NORLEUCYL-L-LYSYL-L-
ARGINYL-L-ARGININE		B2FP70.73
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A3G5R0.97
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A1WOO0.97
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.71
KEUN-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMINO-
6-OXOHEXAHYDROPYRIMIDIN-5-YL]-1-
(2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYL)BUTYL]BENZOYL}-
D-GLUTAMIC ACID		A,B1NJS0.7
KEUN-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMINO-
6-OXOHEXAHYDROPYRIMIDIN-5-YL]-1-
(2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYL)BUTYL]BENZOYL}-
D-GLUTAMIC ACID		A,B,C,D1RBY0.7
KEUN-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMINO-
6-OXOHEXAHYDROPYRIMIDIN-5-YL]-1-
(2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYL)BUTYL]BENZOYL}-
D-GLUTAMIC ACID		A,B,C,D1RBQ0.7
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
D16TOMUDEXA,B1I000.79
D16TOMUDEXA,B2KCE0.79
D16TOMUDEXA,B,C,D2TSR0.79
D16TOMUDEXA,B,C,D1HVY0.79
D16TOMUDEXA,B1RTS0.79