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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01449755

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
I52N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-
PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-
SULFAMOYL]-4-PENTYL-BENZAMIDE		A1HOV0.72
MAQ2-AMINO-8-METHYLQUINAZOLIN-4(3H)-
ONE		A1S380.72
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,B3CDM0.7
NII2,7-bis[3-(dimethylamino)propyl]-
4,9-bis[(3-hydroxypropyl)amino]benzo[lmn][3,8]phenanthroline-
1,3,6,8(2H,7H)-tetrone		A3CCO0.7
FONFOLINIC ACIDA,B1QD10.78
FONFOLINIC ACIDA,B2BLN0.78
FONFOLINIC ACIDA,B,C,D1VRQ0.78
FONFOLINIC ACIDA,B1KL20.78
FONFOLINIC ACIDA,B1XZQ0.78
DOE(S)-2-(4-(2-(2-HYDROXYETHYLTHIO)-
ACETAMIDO)-BENZYL)-1,4,7,10-TETRAAZACYCLODODECANE-
N,N',N'',N'''-TETRAACETATE		A,B,C,D1NC20.73
KMB2-AMINO-6-AMINOMETHYL-8-PHENYLSULFANYLMETHYL-
3H-QUINAZOLIN-4-ONE		A1Q660.76
38M3-(3-chlorophenyl)-2-({(1S)-1-[(6S)-
2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin-
4(3H)-one		A3F9N0.8
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDX2IJG0.75
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B2J4D0.75
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B1DNP0.75
CF4[4-(7,8-dimethyl-2,4-dioxo-3,4-
dihydrobenzo[g]pteridin-10(2H)-
yl)butyl]carbamic acid		A2VKG0.7
VG7N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)-
2-hydroxypropyl]-3-(ethylamino)-
5-(2-oxopyrrolidin-1-yl)benzamide		A2VJ90.71
SM1N-(BENZYLSULFONYL)-D-SERYL-N-(4-
{[AMINO(IMINO)METHYL]AMINO}BENZYL)-
L-ALANINAMIDE		U1W130.74
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA,B,C,D1EJI0.77
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA1U3G0.77
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA2TDD0.77
PFG10-PARPARGYL-5,8-DIDEAZAFOLATE-
4-GLUTAMIC ACID		A,B2BBQ0.76
5HAN-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-
2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-
N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE		A2B8L0.71
B22[2,2'-{[2-({3-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]PHENYL}AMINO)-
2-OXOETHYL]IMINO}DIACETATO(2-)-
KAPPAO]COPPER		A2FOU0.7
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1BJG0.72
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1JBW0.72
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1LCE0.72
APQ2,6-DIAMINO-8-PROPYLSULFANYLMETHYL-
3H-QUINAZOLINE-4-ONE		A1K4H0.75
D16TOMUDEXA,B1I000.77
D16TOMUDEXA,B2KCE0.77
D16TOMUDEXA,B,C,D2TSR0.77
D16TOMUDEXA,B,C,D1HVY0.77
D16TOMUDEXA,B1RTS0.77
BHB2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)-
3H-QUINAZOLIN-4-ONE		A1Q650.77
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1EQB0.76
FFO5-FORMYL-6-HYDROFOLIC ACIDA1JOM0.76
FFO5-FORMYL-6-HYDROFOLIC ACIDA1PJ70.76
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1DFO0.76
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B2VMY0.76
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B1JOL0.76
FFO5-FORMYL-6-HYDROFOLIC ACIDA1WOP0.76
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B1KZI0.78
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7Z0.78
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3BHR0.78
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3GSI0.78
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7V0.78
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B3BHL0.78
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1U220.78
AQO2-AMINOQUINAZOLIN-4(3H)-ONEA1S390.71
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
XXZ1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-
1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-
4'-AMINE		A,B3E650.74
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID		A1ZLY0.79
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE		A,B1XCU0.72
BW2N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID		A,B,C,D1PL00.75
TC83-(2,6-difluorophenyl)-2-(methylthio)quinazolin-
4(3H)-one		A3G3N0.79
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3F060.7
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3EZP0.7
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A3EW80.7
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3EZT0.7
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A1T670.7
FRM2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO-
1(2H)-PYRIDINYL]PROPYL}-8-METHYL-
4(3H)-QUINAZOLINONE		A,B1UK00.74
9012-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY-
3-METHYLSULFANYL-PROPYLCARBAMOYL)-
BUTYLCARBAMOYL]-ETHYL}-2-ETHYL-
PHENYL)-OXALYL-AMINO]-BENZOIC ACID		A1NZ70.74
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		A2VJ60.73
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,B1GAR0.76
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
NHS10-FORMYL-5,8,10-TRIDEAZAFOLIC ACIDA,B1C2T0.75
SY12-({2-[(3R)-3-AMINOPIPERIDIN-1-
YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE		A,B,C,D2ONC0.74
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
GIN2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-
YL)METHYL]AMINO}-N-[4-PROPYL-3-
(TRIFLUOROMETHYL)PHENYL]BENZAMIDE		A,B2HZ00.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1KCE0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1NCE0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F1KZJ0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDX2FTO0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TRG0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2TSC0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVU0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVV0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1FWM0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1BQ10.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL50.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AIQ0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DDU0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E1QZF0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1TDU0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZE0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8M0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E2OIP0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1CI70.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DNA0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1LCA0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZD0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1ZPR0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2AAZ0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8O0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVW0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL60.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AN50.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D2BFA0.79
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,D1LS30.76
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A,B3GEY0.71
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A3CE00.71
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A,B1XK90.71
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A2Q6M0.71
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A,B,C,D,E,F1ZM90.71
XX43-(2-AMINO-6-BENZOYLQUINAZOLIN-
3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE		A,B,C2Q110.75
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE		A1SLN0.73
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE		A2SRT0.73
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE		A3BG80.73
5882-{[2-(2-CARBAMOYL-VINYL)-4-(2-
METHANESULFONYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID		A1ONY0.71
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1TSD0.73
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1SYN0.73
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B2VF00.73
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,E1SEJ0.73
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,D1F280.73
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1TLC0.73
FRQ5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-
1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-
DIONE		A,B1UK10.71
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A3G5R0.77
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A1WOO0.77
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL50.75
DHFDIHYDROFOLIC ACIDA1LCB0.75
DHFDIHYDROFOLIC ACIDA,B,C,D1MXH0.75
DHFDIHYDROFOLIC ACIDA2RK10.75
DHFDIHYDROFOLIC ACIDA1RF70.75
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL60.75
DHFDIHYDROFOLIC ACIDA1TYS0.75