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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01341808

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
A262-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL-
PHENYL)-BUTYRAMIDE
A1TV50.75
A262-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL-
PHENYL)-BUTYRAMIDE
A1D3H0.75
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.82
HFTHYDROXYFLUTAMIDEA2AX60.72
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.7
34A3,4-DIMETHYLANILINEA1L4K0.74
744(3S)-N-(5-CHLORO-2-METHYLPHENYL)-
1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-
CARBOXAMIDE
A2H7N0.73
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.74
XYD2,5-DIMETHYLANILINEA1L4L0.74
ISOPARA-ISOPROPYLANILINEA1BMA0.74
ISOPARA-ISOPROPYLANILINEA,B1ELC0.74
ISOPARA-ISOPROPYLANILINEA,B1ELB0.74
ISOPARA-ISOPROPYLANILINEA,B1ELA0.74
GP61-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREAA1BJU0.72
GEPN-METHYL-N-(PARA-GLUTARAMIDOPHENYL-
ETHYL)-PIPERIDINIUM ION
L25C80.72
1MRN-METHYLANILINEX2OTZ0.73
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.75
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.7
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.92
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.72
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.7
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.81
264(phenylamino)acetonitrileA2RBN0.71
566(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-
3-CARBOXAMIDE
A2H7I0.71
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.74
468(3S)-N-(3-CHLORO-2-METHYLPHENYL)-
1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-
CARBOXAMIDE
A2H7P0.73
EOB{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-
2,1-DIYL)]}BIS(PHOSPHONIC ACID)
A,B,C,D2FZG0.71
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.7
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.7
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.72
PRY2-PROPYL-ANILINEA1OWY0.74
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H1UB50.75
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,B,H,L3CFB0.75
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H3CFD0.75
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,L1FL30.75
CBLCHLORAMBUCILA,B3CSJ0.73
NYLN-ALLYL-ANILINEA1OVK0.73
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.79
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.79
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.76
G3E3-hydroxyquinolin-2(1H)-oneA,B,C,D3G3E0.74
3AB3-aminobenzamideA,B,C,D3GOY0.71
221(2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}-
2-CYANO-3-THIOXOPROPANAMIDE
A,B2IJN0.71
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.72
IDMINDOLINEA,B3CEP0.74
IDMINDOLINEA1AEK0.74
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.8
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.7
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.78
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.71
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.71
SH4(1R)-1-PHENYLETHYL 4-(ACETYLAMINO)BENZYLPHOSPHONATEH1UM40.7
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.72
ISNISATINA,B1OJA0.71
ISNISATINA,B2BK50.71
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.76
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.76
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.76
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.76
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.71
H166-CHLORO-4-(CYCLOHEXYLSULFANYL)-
3-PROPYLQUINOLIN-2(1H)-ONE
A1TKZ0.72
BSU1,3-DIPHENYLUREAA3E850.72
BSU1,3-DIPHENYLUREAA2ZJF0.72
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.73
TSNTRICHOSTATIN AA,B1T640.7
TSNTRICHOSTATIN AA,B1C3R0.7
TSNTRICHOSTATIN AA,B,C3F0R0.7
TSNTRICHOSTATIN AA,B,C3C100.7