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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00051079

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1MRN-METHYLANILINEX2OTZ0.74
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.83
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.72
ISOPARA-ISOPROPYLANILINEA1BMA0.75
ISOPARA-ISOPROPYLANILINEA,B1ELC0.75
ISOPARA-ISOPROPYLANILINEA,B1ELB0.75
ISOPARA-ISOPROPYLANILINEA,B1ELA0.75
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.73
G30(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acidA3G300.72
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.75
XYD2,5-DIMETHYLANILINEA1L4L0.75
ZMG(5R)-2-[(2-fluorophenyl)amino]-
5-(1-methylethyl)-1,3-thiazol-4(5H)-
one
A,B,C,D2RBE0.71
BOSN-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDEA2HD60.7
468(3S)-N-(3-CHLORO-2-METHYLPHENYL)-
1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-
CARBOXAMIDE
A2H7P0.7
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.82
34A3,4-DIMETHYLANILINEA1L4K0.75
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.73
44B1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-
TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-
2-OL
A,B,C,D1PQ90.71
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.77
221(2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}-
2-CYANO-3-THIOXOPROPANAMIDE
A,B2IJN0.78
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.7
GA0GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDEA2DCM0.71
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.71
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.7
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.7
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.7
744(3S)-N-(5-CHLORO-2-METHYLPHENYL)-
1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-
CARBOXAMIDE
A2H7N0.7
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.72
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.72
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.72
SH4(1R)-1-PHENYLETHYL 4-(ACETYLAMINO)BENZYLPHOSPHONATEH1UM40.71
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.77
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.77
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.77
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.77
ISNISATINA,B1OJA0.72
ISNISATINA,B2BK50.72
3AB3-aminobenzamideA,B,C,D3GOY0.73
GEPN-METHYL-N-(PARA-GLUTARAMIDOPHENYL-
ETHYL)-PIPERIDINIUM ION
L25C80.74
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.79
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.7
BHM(R)-3-BROMO-2-HYDROXY-2-METHYL-
N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
A2AX90.76
TSNTRICHOSTATIN AA,B1T640.71
TSNTRICHOSTATIN AA,B1C3R0.71
TSNTRICHOSTATIN AA,B,C3F0R0.71
TSNTRICHOSTATIN AA,B,C3C100.71
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.81
PRY2-PROPYL-ANILINEA1OWY0.76
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.74
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.81
TF2(N-{4-[(ETHYLANILINO)SULFONYL]-
2-METHYLPHENYL}-3,3,3-TRIFLUORO-
2-HYDROXY-2-METHYLPROPANAMIDE
A2BU60.72
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.71
IDMINDOLINEA,B3CEP0.75
IDMINDOLINEA1AEK0.75
NR2N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-
4-METHYLBENZENESULFONAMIDE
A1ZFK0.7
HFTHYDROXYFLUTAMIDEA2AX60.79
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.71
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.94
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.83
EOB{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-
2,1-DIYL)]}BIS(PHOSPHONIC ACID)
A,B,C,D2FZG0.73
NYLN-ALLYL-ANILINEA1OVK0.74
G3E3-hydroxyquinolin-2(1H)-oneA,B,C,D3G3E0.75
BSU1,3-DIPHENYLUREAA3E850.74
BSU1,3-DIPHENYLUREAA2ZJF0.74
A262-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL-
PHENYL)-BUTYRAMIDE
A1TV50.82
A262-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL-
PHENYL)-BUTYRAMIDE
A1D3H0.82
NOXN-(PARA-GLUTARAMIDOPHENYL-ETHYL)-
PIPERIDINIUM-N-OXIDE
L35C80.71
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H1UB50.76
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,B,H,L3CFB0.76
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H3CFD0.76
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,L1FL30.76
CBE2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-
OXATHIINE-3-CARBOXAMIDE
A,B,C,D,N,O,
P,Q
2FBW0.7
GIN2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-
YL)METHYL]AMINO}-N-[4-PROPYL-3-
(TRIFLUOROMETHYL)PHENYL]BENZAMIDE
A,B2HZ00.73
W22[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-
1H-1,4-benzodiazepin-2-yl]acetic acid
A,B2WKW0.7
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.71
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.73
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.74
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.77
566(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-
3-CARBOXAMIDE
A2H7I0.72
TK42-ACETYLAMINO-NAPTHALENE-1,5-DISULFONIC ACIDH,L1C5C0.71
UN6(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-
METHYL}-PHENYL)-SULFAMIC ACID
A2F700.71
264(phenylamino)acetonitrileA2RBN0.72
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.79
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.79
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.79
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.79
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.8
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.8
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