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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01839589

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MNIN-{[(2R,3R,4R,5R)-3,4-DIHYDROXY-
5-(HYDROXYMETHYL)PYRROLIDIN-2-YL]METHYL}-
4-(DIMETHYLAMINO)BENZAMIDE		A,B2OYM0.72
DIZ(4-CHLOROPHENYL)[3-(4-CHLOROPHENYL)-
7-IODO-2,5-DIOXO-1,2,3,5-TETRAHYDRO-
4H-1,4-BENZODIAZEPIN-4-YL]ACETIC ACID		A,B1T4E0.7
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1BJG0.73
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1JBW0.73
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1LCE0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1KCE0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1NCE0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F1KZJ0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDX2FTO0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TRG0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2TSC0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVU0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVV0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1FWM0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1BQ10.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL50.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AIQ0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DDU0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E1QZF0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1TDU0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZE0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8M0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E2OIP0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1CI70.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DNA0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1LCA0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZD0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1ZPR0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2AAZ0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8O0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVW0.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL60.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AN50.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D2BFA0.74
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,D1LS30.74
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B1KZI0.75
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7Z0.75
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3BHR0.75
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3GSI0.75
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7V0.75
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B3BHL0.75
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1U220.75
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA,B,C,D1EJI0.73
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA1U3G0.73
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA2TDD0.73
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX60.7
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX50.7
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX40.7
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA,B1DYJ0.7
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RC40.7
FONFOLINIC ACIDA,B1QD10.75
FONFOLINIC ACIDA,B2BLN0.75
FONFOLINIC ACIDA,B,C,D1VRQ0.75
FONFOLINIC ACIDA,B1KL20.75
FONFOLINIC ACIDA,B1XZQ0.75
FR12-[4-[[(S)-1-[[(S)-2-[[(RS)-3,3,3-
TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL]AMINOCARBONYL]PYRROLIDIN-
1-YL-]CARBONYL]-2-METHYLPROPYL]AMINOCARBONYL]BENZOYLAMINO]ACETIC ACID		N1MMJ0.73
5882-{[2-(2-CARBAMOYL-VINYL)-4-(2-
METHANESULFONYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID		A1ONY0.7
GF7(3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-
3-carboxylic acid		A3GQZ0.74
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		A3BGX0.75
PFG10-PARPARGYL-5,8-DIDEAZAFOLATE-
4-GLUTAMIC ACID		A,B2BBQ0.73
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1TSD0.72
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1SYN0.72
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B2VF00.72
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,E1SEJ0.72
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,D1F280.72
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1TLC0.72
HAQ5-AMINO-4-OXO-1,2,4,5,6,7-HEXAHYDRO-
AZEPINO[3,2,1-HI]INDOLE-2-CARBOXYLIC ACID		D1D5X0.7
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A3G5R0.75
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A1WOO0.75
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1U1J0.76
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2OGY0.76
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XPG0.76
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1TLS0.76
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B,C1ZP40.76
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2E7F0.76
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1TSN0.76
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2IDK0.76
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XR20.76
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1B020.76
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1Q8J0.76
SX54-[(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-
1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid		A,B3CJ40.71
NDLN-BENZOYL-L-NORLEUCYL-L-LYSYL-L-
ARGINYL-L-ARGININE		B2FP70.72
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1EQB0.73
FFO5-FORMYL-6-HYDROFOLIC ACIDA1JOM0.73
FFO5-FORMYL-6-HYDROFOLIC ACIDA1PJ70.73
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1DFO0.73
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B2VMY0.73
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B1JOL0.73
FFO5-FORMYL-6-HYDROFOLIC ACIDA1WOP0.73
RA21-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-
5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-
2-ONE		A1B9V0.71
NHS10-FORMYL-5,8,10-TRIDEAZAFOLIC ACIDA,B1C2T0.73
VG0N-{(1S,2R)-1-benzyl-2-hydroxy-3-
[(1,1,5-trimethylhexyl)amino]propyl}-
3-(ethylamino)-5-(2-oxopyrrolidin-
1-yl)benzamide		A2VIE0.7
L04A1HFS0.71
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		A2VJ60.7
MU1N~2~-ACETYL-N-[(1S,3S,4S)-4-({[(5S)-
3-(3-ACETYLPHENYL)-2-OXO-1,3-OXAZOLIDIN-
5-YL]CARBONYL}AMINO)-1-BENZYL-3-
HYDROXY-5-PHENYLPENTYL]-L-VALINAMIDE		A,B2Q540.71
BW2N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID		A,B,C,D1PL00.7
VG7N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)-
2-hydroxypropyl]-3-(ethylamino)-
5-(2-oxopyrrolidin-1-yl)benzamide		A2VJ90.7
4DP3-[5-(DIMETHYLAMINO)-1,3-DIOXO-
1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L-
ALANINE		C2IPK0.73
D16TOMUDEXA,B1I000.71
D16TOMUDEXA,B2KCE0.71
D16TOMUDEXA,B,C,D2TSR0.71
D16TOMUDEXA,B,C,D1HVY0.71
D16TOMUDEXA,B1RTS0.71
IBA4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-
5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID		A1VCJ0.71
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID		A1ZLY0.72
9012-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY-
3-METHYLSULFANYL-PROPYLCARBAMOYL)-
BUTYLCARBAMOYL]-ETHYL}-2-ETHYL-
PHENYL)-OXALYL-AMINO]-BENZOIC ACID		A1NZ70.7
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL50.73
DHFDIHYDROFOLIC ACIDA1LCB0.73
DHFDIHYDROFOLIC ACIDA,B,C,D1MXH0.73
DHFDIHYDROFOLIC ACIDA2RK10.73
DHFDIHYDROFOLIC ACIDA1RF70.73
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL60.73
DHFDIHYDROFOLIC ACIDA1TYS0.73
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDX2IJG0.76
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B2J4D0.76
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B1DNP0.76
9892-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-NAPHTHALEN-1-YL]-OXALYL-
AMINO}-BENZOIC ACID		A1NL90.7