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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02582087

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.75
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.75
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.75
FEXA1OSH0.73
CBLCHLORAMBUCILA,B3CSJ0.72
A262-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL-
PHENYL)-BUTYRAMIDE
A1TV50.73
A262-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL-
PHENYL)-BUTYRAMIDE
A1D3H0.73
BANHONH-BENZYLMALONYL-L-ALANYLGLYCINE-
P-NITROANILIDE
A5TLN0.7
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
HFTHYDROXYFLUTAMIDEA2AX60.7
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.7
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.7
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID
A2BXN0.75
PDM4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-
PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID
A,B,C1L2O0.77
PDM4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-
PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID
A,C1KWO0.77
DNSN~6~-{[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}-
L-LYSINE
H1WZ10.7
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.73
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.71
UN6(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-
METHYL}-PHENYL)-SULFAMIC ACID
A2F700.72
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.76
U02[2-(3-{[6-(1-BENZYL-PROPYL)-4-HYDROXY-
2-OXO-2H-PYRAN-3-YL]-CYCLOPROPYL-
METHYL}-PHENYLCARBAMOYL)-ETHYL]-
CARBAMIC ACID TERT-BUTYL ESTER
A2UPJ0.72
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.7
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.72
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.72
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.71
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID
H1MEX0.7
GF7(3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-
3-carboxylic acid
A3GQZ0.74
CRIA,B1VKG0.72
EOZ3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACIDA,B,C,D2FZK0.73
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.75
606(2S)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-
3-[(S)-HYDROXY(3-PHENYLPROPYL)PHOSPHORYL]PROPANOIC ACID
A,B,C2PIZ0.71
P1Z4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-
3,5-DIONE
A,B2W980.71
P1Z4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-
3,5-DIONE
A,B2BXC0.71
P1Z4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-
3,5-DIONE
A2BXP0.71
P1Z4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-
3,5-DIONE
A2BXQ0.71
GEPN-METHYL-N-(PARA-GLUTARAMIDOPHENYL-
ETHYL)-PIPERIDINIUM ION
L25C80.81
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.75
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.7
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.7
NOXN-(PARA-GLUTARAMIDOPHENYL-ETHYL)-
PIPERIDINIUM-N-OXIDE
L35C80.79
SX54-[(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-
1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid
A,B3CJ40.76
LZQ4-[3-(dibenzylamino)phenyl]-2,4-
dioxobutanoic acid
A3EB10.72
I84[2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-
BENZENESULFONYL]-GLYCINE
A1EKO0.73
I84[2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-
BENZENESULFONYL]-GLYCINE
A1EL30.73
NPGN-SUCCINYL PHENYLGLYCINEA,B,C,D1SJD0.72
566(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-
3-CARBOXAMIDE
A2H7I0.73
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.71
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID
A2CBR0.74
MX5{1-[4-(3,4-DIHYDROQUINOLIN-1(2H)-
YL)-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID
B,I2C2Z0.72
2T3(2R,3R)-4-ANILINO-2,3-DIHYDROXY-
4-OXOBUTANOIC ACID
A2P360.74
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA,B3CFQ0.73
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA1SV90.73
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA1NR60.73
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA3HWV0.73
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDB1DVX0.73
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA2B6D0.73
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA,B,C,D1PXX0.73
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA2B170.73
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.72
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.74
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H1UB50.83
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,B,H,L3CFB0.83
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H3CFD0.83
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,L1FL30.83
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,L1A4K0.74
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
BC13-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN-
9-YL)CARBONYL]AMINO}PROPANOIC ACID
H,Y1LO00.73
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,O2V160.74
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
G30(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acidA3G300.8
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.71
W22[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-
1H-1,4-benzodiazepin-2-yl]acetic acid
A,B2WKW0.77
TNSA,B,L2G2R0.74