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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02403342

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4DP3-[5-(DIMETHYLAMINO)-1,3-DIOXO-
1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L-
ALANINE		C2IPK0.71
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
26BO-tert-butyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]-L-threonine		A,B3DDS0.73
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
AAFMETHYL 4-{[({[(2R,5S)-5-{[(2S)-
2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-
2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE		B2G630.7
F68N-{[(4-methylphenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine		A2QLM0.72
BZDA1K060.72
BZDA1K080.72
BZDA2QNB0.72
1AA5'-O-[({[(2-{[(2-AMINOPHENYL)CARBONYL]OXY}ETHYL)OXY]PHOSPHINATO}OXY)PHOSPHINATO]CYTIDINEA,B,C,D,E,F2AMT0.72
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1TSD0.71
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1SYN0.71
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B2VF00.71
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,E1SEJ0.71
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,D1F280.71
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1TLC0.71
BNDME-A-N-BENZOYL-AMINO-9-DEOXY-NEU5ACA1OD90.72
D16TOMUDEXA,B1I000.7
D16TOMUDEXA,B2KCE0.7
D16TOMUDEXA,B,C,D2TSR0.7
D16TOMUDEXA,B,C,D1HVY0.7
D16TOMUDEXA,B1RTS0.7
D5G(2S)-4-METHYL-2-(3-PHENYLTHIOUREIDO)-
N-((3S)-TETRAHYDRO-2-HYDROXY-3-
FURANYL)PENTANAMIDE		A2G8E0.71
BFN5-(acetylamino)-2,6-anhydro-3,5,9-
trideoxy-3-fluoro-9-[(phenylcarbonyl)amino]-
D-arabino-L-galacto-nononic acid		A3B690.71
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL50.77
DHFDIHYDROFOLIC ACIDA1LCB0.77
DHFDIHYDROFOLIC ACIDA,B,C,D1MXH0.77
DHFDIHYDROFOLIC ACIDA2RK10.77
DHFDIHYDROFOLIC ACIDA1RF70.77
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL60.77
DHFDIHYDROFOLIC ACIDA1TYS0.77
FONFOLINIC ACIDA,B1QD10.79
FONFOLINIC ACIDA,B2BLN0.79
FONFOLINIC ACIDA,B,C,D1VRQ0.79
FONFOLINIC ACIDA,B1KL20.79
FONFOLINIC ACIDA,B1XZQ0.79
EJT1,3-DI(N-PROPYLOXY-A-MANNOPYRANOSYL)-
CARBOMYL 5-METHYAZIDO-BENZENE		A,B1QGL0.7
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
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1EQB0.75
FFO5-FORMYL-6-HYDROFOLIC ACIDA1JOM0.75
FFO5-FORMYL-6-HYDROFOLIC ACIDA1PJ70.75
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1DFO0.75
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B2VMY0.75
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B1JOL0.75
FFO5-FORMYL-6-HYDROFOLIC ACIDA1WOP0.75
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1KCE0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1NCE0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F1KZJ0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDX2FTO0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TRG0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2TSC0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVU0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVV0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1FWM0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1BQ10.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL50.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AIQ0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DDU0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E1QZF0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1TDU0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZE0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8M0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E2OIP0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1CI70.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DNA0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1LCA0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZD0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1ZPR0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2AAZ0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8O0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVW0.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL60.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AN50.76
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D2BFA0.76
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID		A1ZLY0.72