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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00387175

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE		A1SLN0.71
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE		A2SRT0.71
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE		A3BG80.71
TTT5-amino-2-methyl-N-[(1R)-1-naphthalen-
1-ylethyl]benzamide		A3E9S0.71
GCA6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMETHYL-
5-ISOPROPYLURACIL		A1C1B0.71
LFNLUMIFLAVINA2CCC0.7
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
SN81,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM-
4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM		A,B1ZPH0.76
XX43-(2-AMINO-6-BENZOYLQUINAZOLIN-
3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE		A,B,C2Q110.76
26BO-tert-butyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]-L-threonine		A,B3DDS0.73
009(4S)-1,4-dibenzyl-N-[(1S,2R)-1-
benzyl-3-{[3-(dimethylamino)benzyl]amino}-
2-hydroxypropyl]-2-oxoimidazolidine-
4-carboxamide		A,B,C3CKR0.73
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H1UB50.7
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,B,H,L3CFB0.7
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H3CFD0.7
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,L1FL30.7
CRIA,B1VKG0.74
NOXN-(PARA-GLUTARAMIDOPHENYL-ETHYL)-
PIPERIDINIUM-N-OXIDE		L35C80.7
RS31-deoxy-1-[8-(dimethylamino)-7-
methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-
10(2H)-yl]-D-ribitol		X,Y3F4H0.7
LI63,4-DIHYDROXY-1-METHYLQUINOLIN-
2(1H)-ONE		A1YXV0.7
W22[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-
1H-1,4-benzodiazepin-2-yl]acetic acid		A,B2WKW0.71
25D2-cyclohexyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]-D-alanine		A,B3DD10.71
GEPN-METHYL-N-(PARA-GLUTARAMIDOPHENYL-
ETHYL)-PIPERIDINIUM ION		L25C80.73
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE		A2HVC0.75
FRQ5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-
1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-
DIONE		A,B1UK10.77
FNR1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-
3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-
1-ID-10(5H)-YL)-5-O-PHOSPHONATO-
D-RIBITOL		A,B,C,D,E,F,
G,H		2ISL0.71
FNR1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-
3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-
1-ID-10(5H)-YL)-5-O-PHOSPHONATO-
D-RIBITOL		A,B,C,D2ZRY0.71
FNR1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-
3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-
1-ID-10(5H)-YL)-5-O-PHOSPHONATO-
D-RIBITOL		A,B,C,D2ZRV0.71
FNR1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-
3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-
1-ID-10(5H)-YL)-5-O-PHOSPHONATO-
D-RIBITOL		A,B,C,D,E,F,
G,H		2ISK0.71
FNR1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-
3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-
1-ID-10(5H)-YL)-5-O-PHOSPHONATO-
D-RIBITOL		A,B,C,D2ZRZ0.71
FNR1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-
3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-
1-ID-10(5H)-YL)-5-O-PHOSPHONATO-
D-RIBITOL		A2FZ50.71
PFG10-PARPARGYL-5,8-DIDEAZAFOLATE-
4-GLUTAMIC ACID		A,B2BBQ0.71
FRPN1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-
5-METHYL-6-OXO-1-PHENYLHEXAN-2-
YL)-N3,N3-DIPROPYLISOPHTHALAMIDE		A,B,C2FDP0.71
FRM2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO-
1(2H)-PYRIDINYL]PROPYL}-8-METHYL-
4(3H)-QUINAZOLINONE		A,B1UK00.71
CF4[4-(7,8-dimethyl-2,4-dioxo-3,4-
dihydrobenzo[g]pteridin-10(2H)-
yl)butyl]carbamic acid		A2VKG0.73
XXZ1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-
1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-
4'-AMINE		A,B3E650.74
SM1N-(BENZYLSULFONYL)-D-SERYL-N-(4-
{[AMINO(IMINO)METHYL]AMINO}BENZYL)-
L-ALANINAMIDE		U1W130.73
SU23-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-
2-INDOLINONE		A,B1AGW0.72
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A,B3GEY0.72
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A3CE00.72
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A,B1XK90.72
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A2Q6M0.72
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A,B,C,D,E,F1ZM90.72
DMQ[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-
BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-
1,3-BIS([(3-AMINO)PHENYL]METHYL)-
4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPINONE		B1RQ90.71
DMQ[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-
BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-
1,3-BIS([(3-AMINO)PHENYL]METHYL)-
4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPINONE		A,B1DMP0.71
DMQ[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-
BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-
1,3-BIS([(3-AMINO)PHENYL]METHYL)-
4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPINONE		A1MER0.71
NII2,7-bis[3-(dimethylamino)propyl]-
4,9-bis[(3-hydroxypropyl)amino]benzo[lmn][3,8]phenanthroline-
1,3,6,8(2H,7H)-tetrone		A,B3CDM0.74
NII2,7-bis[3-(dimethylamino)propyl]-
4,9-bis[(3-hydroxypropyl)amino]benzo[lmn][3,8]phenanthroline-
1,3,6,8(2H,7H)-tetrone		A3CCO0.74
2T12-[({4-[2-(trifluoromethyl)phenyl]piperidin-
1-yl}carbonyl)amino]benzoic acid		A,B3FMZ0.73
VG0N-{(1S,2R)-1-benzyl-2-hydroxy-3-
[(1,1,5-trimethylhexyl)amino]propyl}-
3-(ethylamino)-5-(2-oxopyrrolidin-
1-yl)benzamide		A2VIE0.72
FONFOLINIC ACIDA,B1QD10.71
FONFOLINIC ACIDA,B2BLN0.71
FONFOLINIC ACIDA,B,C,D1VRQ0.71
FONFOLINIC ACIDA,B1KL20.71
FONFOLINIC ACIDA,B1XZQ0.71
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		2OZR0.71
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.76
G3E3-hydroxyquinolin-2(1H)-oneA,B,C,D3G3E0.74
VG7N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)-
2-hydroxypropyl]-3-(ethylamino)-
5-(2-oxopyrrolidin-1-yl)benzamide		A2VJ90.73
LIZN-{(1S,2S)-2-[bis(carboxymethyl)amino]cyclohexyl}-
N-{(2R)-2-[bis(carboxymethyl)amino]-
3-[4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamothioyl}amino)phenyl]propyl}glycine		A,B3DSZ0.72
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.74
RBFRIBOFLAVINEB,D,F,H2FL50.71
RBFRIBOFLAVINEA2CC80.71
RBFRIBOFLAVINEA,B1PKV0.71
RBFRIBOFLAVINEA,B1T6Z0.71
RBFRIBOFLAVINEA2VX90.71
RBFRIBOFLAVINEA,B,C,D,E1KYV0.71
RBFRIBOFLAVINEA1MOG0.71
RBFRIBOFLAVINEA,B,C,D,E,F,
G,H,I,J,K,L		2VXA0.71
RBFRIBOFLAVINEA,B1L5R0.71
RBFRIBOFLAVINEA,B1HZE0.71
RBFRIBOFLAVINEA,B,C,D,E2A580.71
RBFRIBOFLAVINEA,B1BU50.71
RBFRIBOFLAVINEX,Y3F4G0.71
RBFRIBOFLAVINEA1NB90.71
RBFRIBOFLAVINEA,B1I180.71
RBFRIBOFLAVINEA3DDY0.71
RBFRIBOFLAVINEA2CCB0.71
VG6N-[(1S,2R)-1-benzyl-2-hydroxy-3-
{[3-(trifluoromethyl)benzyl]amino}propyl]-
3-(ethylamino)-5-(2-oxopyrrolidin-
1-yl)benzamide		A2VJ70.72
MU0(5S)-N-[(1S,2S,4S)-1-BENZYL-2-HYDROXY-
4-{[(2S)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-
1(2H)-YL)BUTANOYL]AMINO}-5-PHENYLPENTYL]-
2-OXO-3-PHENYL-1,3-OXAZOLIDINE-
5-CARBOXAMIDE		A,B2Q550.71
SLD(3Z)-N-[(4E)-5-(4-{(5S)-5-[(acetylamino)methyl]-
2-oxo-1,3-oxazolidin-3-yl}-2-fluorophenyl)pent-
4-en-1-yl]-3-(4-methyl-2,6-dioxo-
1,6-dihydropyrimidin-5(2H)-ylidene)propanamide		0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z		3CXC0.71
MAQ2-AMINO-8-METHYLQUINAZOLIN-4(3H)-
ONE		A1S380.71
GA0GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDEA2DCM0.7
FG1N-[4-(2-{2-[3-(2-BROMO-ACETYLAMINO)-
PROPIONYLAMINO]-3-HYDROXY-PROPIONYLAMINO}-
ETHYL)-PHENYL]-OXALAMIC ACID		A1NWE0.71
GIN2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-
YL)METHYL]AMINO}-N-[4-PROPYL-3-
(TRIFLUOROMETHYL)PHENYL]BENZAMIDE		A,B2HZ00.75
5HAN-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-
2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-
N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE		A2B8L0.7
566(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-
3-CARBOXAMIDE		A2H7I0.7
SC52-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-
1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-
1,1-DIOL		H1YNK0.76
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID		A1ZLY0.77
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE		A,B1XCU0.73
EOT[(1-[(BIS-CARBOXYMETHYL-AMINO)-
METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)-
THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL-
AMINO]-ACETIC ACID		H1INE0.71
EOT[(1-[(BIS-CARBOXYMETHYL-AMINO)-
METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)-
THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL-
AMINO]-ACETIC ACID		H1IND0.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3F060.74
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3EZP0.74
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A3EW80.74
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3EZT0.74
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A1T670.74
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE		A2QJU0.71
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE		A2QB40.71
BC13-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN-
9-YL)CARBONYL]AMINO}PROPANOIC ACID		H,Y1LO00.74