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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00541583

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FEFA,B2VZ60.72
PDM4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-
PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID		A,B,C1L2O0.78
PDM4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-
PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID		A,C1KWO0.78
FG1N-[4-(2-{2-[3-(2-BROMO-ACETYLAMINO)-
PROPIONYLAMINO]-3-HYDROXY-PROPIONYLAMINO}-
ETHYL)-PHENYL]-OXALAMIC ACID		A1NWE0.73
MX5{1-[4-(3,4-DIHYDROQUINOLIN-1(2H)-
YL)-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID		B,I2C2Z0.76
CRIA,B1VKG0.75
BC13-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN-
9-YL)CARBONYL]AMINO}PROPANOIC ACID		H,Y1LO00.76
FEXA1OSH0.73
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
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.72
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.72
IXM(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-
3,2'-DIONE-3-OXIME		A,B1Q410.72
IXM(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-
3,2'-DIONE-3-OXIME		A,B1UNH0.72
IXM(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-
3,2'-DIONE-3-OXIME		A2QKR0.72
SU23-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-
2-INDOLINONE		A,B1AGW0.73
DOE(S)-2-(4-(2-(2-HYDROXYETHYLTHIO)-
ACETAMIDO)-BENZYL)-1,4,7,10-TETRAAZACYCLODODECANE-
N,N',N'',N'''-TETRAACETATE		A,B,C,D1NC20.73
G30(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acidA3G300.77
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.72
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.73
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.73
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.73
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,		A1WAX0.8
NPGN-SUCCINYL PHENYLGLYCINEA,B,C,D1SJD0.71
BANHONH-BENZYLMALONYL-L-ALANYLGLYCINE-
P-NITROANILIDE		A5TLN0.72
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.73
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.75
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.75
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.75
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.75
2UN{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)-
3-OXOPROPYL]PHENYL}SULFAMIC ACID		A,B2H020.72
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.71
TF2(N-{4-[(ETHYLANILINO)SULFONYL]-
2-METHYLPHENYL}-3,3,3-TRIFLUORO-
2-HYDROXY-2-METHYLPROPANAMIDE		A2BU60.71
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID		A2BXN0.75
A262-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL-
PHENYL)-BUTYRAMIDE		A1TV50.74
A262-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL-
PHENYL)-BUTYRAMIDE		A1D3H0.74
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM		A1E3Q0.74
2T3(2R,3R)-4-ANILINO-2,3-DIHYDROXY-
4-OXOBUTANOIC ACID		A2P360.76
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.72
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.74
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.7
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.7
TYXS-(2-ANILINO-2-OXOETHYL)-L-CYSTEINEA2PQT0.71
SC52-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-
1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-
1,1-DIOL		H1YNK0.72
W22[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-
1H-1,4-benzodiazepin-2-yl]acetic acid		A,B2WKW0.79
SX54-[(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-
1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid		A,B3CJ40.74
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.7
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.7
GF7(3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-
3-carboxylic acid		A3GQZ0.74
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.74
I84[2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-
BENZENESULFONYL]-GLYCINE		A1EKO0.76
I84[2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-
BENZENESULFONYL]-GLYCINE		A1EL30.76
GASB,H1ETZ0.72
GASH2CGR0.72
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.71
606(2S)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-
3-[(S)-HYDROXY(3-PHENYLPROPYL)PHOSPHORYL]PROPANOIC ACID		A,B,C2PIZ0.71
CBLCHLORAMBUCILA,B3CSJ0.73
TSNTRICHOSTATIN AA,B1T640.71
TSNTRICHOSTATIN AA,B1C3R0.71
TSNTRICHOSTATIN AA,B,C3F0R0.71
TSNTRICHOSTATIN AA,B,C3C100.71
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE		A,B1XCU0.72
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.73
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID		A1ZLY0.73
4BO(3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acidA3CHP0.72
FRA[4-(4-ACETYLAMINO-PHENYL)-3,5-DIOXO-
4-AZA-TRICYCLO[5.2.2.0 2,6]UNDEC-
1-YLCARBAMOYLOXY]-ACETIC ACID		A,B,H,L1A4K0.72
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.72
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.71
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
468(3S)-N-(3-CHLORO-2-METHYLPHENYL)-
1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-
CARBOXAMIDE		A2H7P0.71
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H1UB50.88
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,B,H,L3CFB0.88
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H3CFD0.88
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,L1FL30.88
C47METHYL (3R)-1-[(5S,6S,8R)-5-AMINO-
9-BUTYLAMINO-6-HYDROXY-3,3,8-TRIMETHYL-
9-OXO-NONANOYL]-3,4-DIHYDRO-2H-
QUINOLINE-3-CARBOXYLATE		C,O2V160.72
EOZ3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACIDA,B,C,D2FZK0.71
HFTHYDROXYFLUTAMIDEA2AX60.71
566(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-
3-CARBOXAMIDE		A2H7I0.75
SH4(1R)-1-PHENYLETHYL 4-(ACETYLAMINO)BENZYLPHOSPHONATEH1UM40.74
HPIN-(1-CARBOXY-3-PHENYLPROPYL)PHENYLALANYL-
ALPHA-ASPARAGINE		A1U4G0.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3F060.72
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3EZP0.72
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A3EW80.72
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3EZT0.72
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A1T670.72
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.76
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID		A2CBR0.74
TNSA,B,L2G2R0.77
C164-(4-methyl-1,3-dioxo-1,3-dihydro-
2H-isoindol-2-yl)benzonitrile		A3BNZ0.7
744(3S)-N-(5-CHLORO-2-METHYLPHENYL)-
1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-
CARBOXAMIDE		A2H7N0.71
NOXN-(PARA-GLUTARAMIDOPHENYL-ETHYL)-
PIPERIDINIUM-N-OXIDE		L35C80.82
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA,B3CFQ0.75
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA1SV90.75
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA1NR60.75
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA3HWV0.75
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDB1DVX0.75
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA2B6D0.75
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA,B,C,D1PXX0.75
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA2B170.75
G3E3-hydroxyquinolin-2(1H)-oneA,B,C,D3G3E0.72
LZQ4-[3-(dibenzylamino)phenyl]-2,4-
dioxobutanoic acid		A3EB10.74
4464-[(4-{[6-bromo-3-(methoxycarbonyl)-
1-oxo-4-phenylisoquinolin-2(1H)-
yl]methyl}phenyl)amino]-4-oxobutanoic acid		A2ZDU0.7
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.72
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.78
UN6(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-
METHYL}-PHENYL)-SULFAMIC ACID		A2F700.76
U02[2-(3-{[6-(1-BENZYL-PROPYL)-4-HYDROXY-
2-OXO-2H-PYRAN-3-YL]-CYCLOPROPYL-
METHYL}-PHENYLCARBAMOYL)-ETHYL]-
CARBAMIC ACID TERT-BUTYL ESTER		A2UPJ0.71
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID		A1KQU0.72
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
GA0GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDEA2DCM0.72
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
IN7[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-
ACETIC ACID		A1B8Y0.72
GEPN-METHYL-N-(PARA-GLUTARAMIDOPHENYL-
ETHYL)-PIPERIDINIUM ION		L25C80.83
P1Z4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-
3,5-DIONE		A,B2W980.7
P1Z4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-
3,5-DIONE		A,B2BXC0.7
P1Z4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-
3,5-DIONE		A2BXP0.7
P1Z4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-
3,5-DIONE		A2BXQ0.7