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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02457531

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1EQB0.9
FFO5-FORMYL-6-HYDROFOLIC ACIDA1JOM0.9
FFO5-FORMYL-6-HYDROFOLIC ACIDA1PJ70.9
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1DFO0.9
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B2VMY0.9
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B1JOL0.9
FFO5-FORMYL-6-HYDROFOLIC ACIDA1WOP0.9
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
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1KCE0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1NCE0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F1KZJ0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDX2FTO0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TRG0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2TSC0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVU0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVV0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1FWM0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1BQ10.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL50.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AIQ0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DDU0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E1QZF0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1TDU0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZE0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8M0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E2OIP0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1CI70.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DNA0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1LCA0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZD0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1ZPR0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2AAZ0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8O0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVW0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL60.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AN50.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D2BFA0.89
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,C2FMN0.73
BW2N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID		A,B,C,D1PL00.81
4464-[(4-{[6-bromo-3-(methoxycarbonyl)-
1-oxo-4-phenylisoquinolin-2(1H)-
yl]methyl}phenyl)amino]-4-oxobutanoic acid		A2ZDU0.71
D16TOMUDEXA,B1I000.77
D16TOMUDEXA,B2KCE0.77
D16TOMUDEXA,B,C,D2TSR0.77
D16TOMUDEXA,B,C,D1HVY0.77
D16TOMUDEXA,B1RTS0.77
B22[2,2'-{[2-({3-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]PHENYL}AMINO)-
2-OXOETHYL]IMINO}DIACETATO(2-)-
KAPPAO]COPPER		A2FOU0.72
CF4[4-(7,8-dimethyl-2,4-dioxo-3,4-
dihydrobenzo[g]pteridin-10(2H)-
yl)butyl]carbamic acid		A2VKG0.73
FONFOLINIC ACIDA,B1QD10.93
FONFOLINIC ACIDA,B2BLN0.93
FONFOLINIC ACIDA,B,C,D1VRQ0.93
FONFOLINIC ACIDA,B1KL20.93
FONFOLINIC ACIDA,B1XZQ0.93
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1U1J0.96
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2OGY0.96
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XPG0.96
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1TLS0.96
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B,C1ZP40.96
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2E7F0.96
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1TSN0.96
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2IDK0.96
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XR20.96
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1B020.96
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1Q8J0.96
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL50.91
DHFDIHYDROFOLIC ACIDA1LCB0.91
DHFDIHYDROFOLIC ACIDA,B,C,D1MXH0.91
DHFDIHYDROFOLIC ACIDA2RK10.91
DHFDIHYDROFOLIC ACIDA1RF70.91
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL60.91
DHFDIHYDROFOLIC ACIDA1TYS0.91
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
AAFMETHYL 4-{[({[(2R,5S)-5-{[(2S)-
2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-
2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE		B2G630.71
FOLFOLIC ACIDA1PJ60.77
FOLFOLIC ACIDA,B1RD70.77
FOLFOLIC ACIDA,B1DHF0.77
FOLFOLIC ACIDA,B,C,D,E1QZF0.77
FOLFOLIC ACIDA4CD20.77
FOLFOLIC ACIDA1RX70.77
FOLFOLIC ACIDA1RX20.77
FOLFOLIC ACIDA1RX80.77
FOLFOLIC ACIDA1RA20.77
FOLFOLIC ACIDA,B1RE70.77
FOLFOLIC ACIDA7DFR0.77
FOLFOLIC ACIDA1VIF0.77
FOLFOLIC ACIDA,B1RB20.77
FOLFOLIC ACIDA1CD20.77
FOLFOLIC ACIDA2CD20.77
FOLFOLIC ACIDA,B1DYI0.77
FOLFOLIC ACIDA1DRF0.77
FOLFOLIC ACIDA,B,C,D3BMC0.77
FOLFOLIC ACIDA,B2D0K0.77
FOLFOLIC ACIDA1RA80.77
DZF5-DEAZAFOLIC ACIDA,B2DHF0.77
DZF5-DEAZAFOLIC ACIDA,B1DYH0.77
DZF5-DEAZAFOLIC ACIDA,B,C,D1CDE0.77
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX60.82
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX50.82
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX40.82
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA,B1DYJ0.82
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RC40.82
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID		A1ZLY0.86
AQO2-AMINOQUINAZOLIN-4(3H)-ONEA1S390.7