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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02381091

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
26BO-tert-butyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]-L-threonine		A,B3DDS0.75
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
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
BIT(-)-1-PHENYL-1,2,3,4-TETRAHYDRO-
4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN-
4-ONE		A1YV30.72
DZF5-DEAZAFOLIC ACIDA,B2DHF0.81
DZF5-DEAZAFOLIC ACIDA,B1DYH0.81
DZF5-DEAZAFOLIC ACIDA,B,C,D1CDE0.81
KAFN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-phenylalanine		A3BKK0.71
055(2S)-{[(3-{[(2-chloro-6-methylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]amino}(phenyl)ethanoic acid		A,B3DDW0.73
KMB2-AMINO-6-AMINOMETHYL-8-PHENYLSULFANYLMETHYL-
3H-QUINAZOLIN-4-ONE		A1Q660.71
SX54-[(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-
1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid		A,B3CJ40.7
NDLN-BENZOYL-L-NORLEUCYL-L-LYSYL-L-
ARGINYL-L-ARGININE		B2FP70.71
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1BJG0.84
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1JBW0.84
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1LCE0.84
BW2N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID		A,B,C,D1PL00.83
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL50.88
DHFDIHYDROFOLIC ACIDA1LCB0.88
DHFDIHYDROFOLIC ACIDA,B,C,D1MXH0.88
DHFDIHYDROFOLIC ACIDA2RK10.88
DHFDIHYDROFOLIC ACIDA1RF70.88
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL60.88
DHFDIHYDROFOLIC ACIDA1TYS0.88
GG14-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-
1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-
3(2H)-YL]METHYL}BENZOIC ACID		A,B,C,D,E,F,
G,H		2OZR0.72
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1KCE1
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1NCE1
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F1KZJ1
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDX2FTO1
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TRG1
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2TSC1
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVU1
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVV1
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1FWM1
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1BQ11
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL51
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AIQ1
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DDU1
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E1QZF1
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1TDU1
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZE1
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8M1
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E2OIP1
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1CI71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DNA1
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1LCA1
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZD1
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1ZPR1
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2AAZ1
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8O1
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVW1
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL61
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AN51
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D2BFA1
BL6(3aS)-3a-hydroxy-7-methyl-1-phenyl-
1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-
b]quinolin-4-one		A3BZ80.71
BL7(3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-
tetrahydro-4H-pyrrolo[2,3-b]quinolin-
4-one		A3BZ90.71
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,C2FMN0.72
BHB2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)-
3H-QUINAZOLIN-4-ONE		A1Q650.7
2T12-[({4-[2-(trifluoromethyl)phenyl]piperidin-
1-yl}carbonyl)amino]benzoic acid		A,B3FMZ0.71
FONFOLINIC ACIDA,B1QD10.89
FONFOLINIC ACIDA,B2BLN0.89
FONFOLINIC ACIDA,B,C,D1VRQ0.89
FONFOLINIC ACIDA,B1KL20.89
FONFOLINIC ACIDA,B1XZQ0.89
THHN-[4-({[(6S)-2-AMINO-4-HYDROXY-
5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-
6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID		A,B3DCJ0.71
THHN-[4-({[(6S)-2-AMINO-4-HYDROXY-
5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-
6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID		A,B1WSV0.71
4464-[(4-{[6-bromo-3-(methoxycarbonyl)-
1-oxo-4-phenylisoquinolin-2(1H)-
yl]methyl}phenyl)amino]-4-oxobutanoic acid		A2ZDU0.71
5882-{[2-(2-CARBAMOYL-VINYL)-4-(2-
METHANESULFONYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID		A1ONY0.72
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA,B,C,D1EJI0.86
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA1U3G0.86
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA2TDD0.86
FRM2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO-
1(2H)-PYRIDINYL]PROPYL}-8-METHYL-
4(3H)-QUINAZOLINONE		A,B1UK00.71
FRQ5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-
1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-
DIONE		A,B1UK10.7
LYB2-{4-[4-(4-{4-[2-(2-AMINO-4-OXO-
4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-
5-YL)-ETHYL]-BENZOYLAMINO}-4-CARBOXY-
BUTYRYLAMINO)-4-CARBOXY-BUTYRYLAMINO}-
PENTANEDIOIC ACID		A,B1JTU0.7
MAQ2-AMINO-8-METHYLQUINAZOLIN-4(3H)-
ONE		A1S380.73
NHS10-FORMYL-5,8,10-TRIDEAZAFOLIC ACIDA,B1C2T0.88
XXZ1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-
1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-
4'-AMINE		A,B3E650.74
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,D1JUJ0.72
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,D1JU60.72
YC2N-{[(1S)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}-
L-glutamic acid		A3D7H0.71
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A3G5R0.89
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A1WOO0.89
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
NII2,7-bis[3-(dimethylamino)propyl]-
4,9-bis[(3-hydroxypropyl)amino]benzo[lmn][3,8]phenanthroline-
1,3,6,8(2H,7H)-tetrone		A,B3CDM0.71
NII2,7-bis[3-(dimethylamino)propyl]-
4,9-bis[(3-hydroxypropyl)amino]benzo[lmn][3,8]phenanthroline-
1,3,6,8(2H,7H)-tetrone		A3CCO0.71
SY12-({2-[(3R)-3-AMINOPIPERIDIN-1-
YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE		A,B,C,D2ONC0.73
FOLFOLIC ACIDA1PJ60.78
FOLFOLIC ACIDA,B1RD70.78
FOLFOLIC ACIDA,B1DHF0.78
FOLFOLIC ACIDA,B,C,D,E1QZF0.78
FOLFOLIC ACIDA4CD20.78
FOLFOLIC ACIDA1RX70.78
FOLFOLIC ACIDA1RX20.78
FOLFOLIC ACIDA1RX80.78
FOLFOLIC ACIDA1RA20.78
FOLFOLIC ACIDA,B1RE70.78
FOLFOLIC ACIDA7DFR0.78
FOLFOLIC ACIDA1VIF0.78
FOLFOLIC ACIDA,B1RB20.78
FOLFOLIC ACIDA1CD20.78
FOLFOLIC ACIDA2CD20.78
FOLFOLIC ACIDA,B1DYI0.78
FOLFOLIC ACIDA1DRF0.78
FOLFOLIC ACIDA,B,C,D3BMC0.78
FOLFOLIC ACIDA,B2D0K0.78
FOLFOLIC ACIDA1RA80.78
XX43-(2-AMINO-6-BENZOYLQUINAZOLIN-
3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE		A,B,C2Q110.78
SN81,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM-
4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM		A,B1ZPH0.7
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,D2P4J0.72
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX60.81
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX50.81
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX40.81
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA,B1DYJ0.81
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RC40.81
D16TOMUDEXA,B1I000.82
D16TOMUDEXA,B2KCE0.82
D16TOMUDEXA,B,C,D2TSR0.82
D16TOMUDEXA,B,C,D1HVY0.82
D16TOMUDEXA,B1RTS0.82
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		A3BGX0.87
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B1KZI0.9
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7Z0.9
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3BHR0.9
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3GSI0.9
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7V0.9
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B3BHL0.9
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1U220.9
9892-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-NAPHTHALEN-1-YL]-OXALYL-
AMINO}-BENZOIC ACID		A1NL90.73
25D2-cyclohexyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]-D-alanine		A,B3DD10.74
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE		A,B1XCU0.7
PFG10-PARPARGYL-5,8-DIDEAZAFOLATE-
4-GLUTAMIC ACID		A,B2BBQ0.96
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
VG7N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)-
2-hydroxypropyl]-3-(ethylamino)-
5-(2-oxopyrrolidin-1-yl)benzamide		A2VJ90.7
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1U1J0.9
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2OGY0.9
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XPG0.9
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1TLS0.9
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B,C1ZP40.9
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2E7F0.9
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1TSN0.9
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2IDK0.9
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XR20.9
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1B020.9
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1Q8J0.9
9012-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY-
3-METHYLSULFANYL-PROPYLCARBAMOYL)-
BUTYLCARBAMOYL]-ETHYL}-2-ETHYL-
PHENYL)-OXALYL-AMINO]-BENZOIC ACID		A1NZ70.72
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,D1LS30.87
5HAN-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-
2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-
N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE		A2B8L0.7
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDX2IJG0.87
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B2J4D0.87
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B1DNP0.87
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1TSD0.85
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1SYN0.85
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B2VF00.85
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,E1SEJ0.85
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,D1F280.85
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1TLC0.85
L37A,B1DIG0.71
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID		A1ZLY0.91
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1EQB0.86
FFO5-FORMYL-6-HYDROFOLIC ACIDA1JOM0.86
FFO5-FORMYL-6-HYDROFOLIC ACIDA1PJ70.86
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1DFO0.86
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B2VMY0.86
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B1JOL0.86
FFO5-FORMYL-6-HYDROFOLIC ACIDA1WOP0.86