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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01945606

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.77
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.77
SC52-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-
1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-
1,1-DIOL
H1YNK0.74
DAQO,P-DINITROPHENYL AMINOPROPYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D1B0.74
NIT4-NITROANILINEC,D1RMH0.71
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.71
NIT4-NITROANILINEB1VBS0.71
NIT4-NITROANILINEC1V9T0.71
NIT4-NITROANILINEC,D1VBT0.71
NIT4-NITROANILINEB1LOP0.71
NIT4-NITROANILINEC,D1ZKF0.71
NIT4-NITROANILINEB1PIP0.71
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.7
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.7
PNQP-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0Z0.82
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.74
264(phenylamino)acetonitrileA2RBN0.71
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.71
ONPO-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0Y0.78
NYLN-ALLYL-ANILINEA1OVK0.71
427(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)PHENYL)GUANIDINE
A1ZMN0.72
BHM(R)-3-BROMO-2-HYDROXY-2-METHYL-
N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
A2AX90.71
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.77
MLN(S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-
P-NITROANILIDE
A1BSK0.72
MLN(S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-
P-NITROANILIDE
A1BSJ0.72
HFTHYDROXYFLUTAMIDEA2AX60.73
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
A,B1RXH0.7
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
A,B1I9H0.7
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
A,B2FHL0.7
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
A,B1RXK0.7
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
A,B2OFB0.7
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
A,B1IJ80.7
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
A,B2OF80.7
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
A,B,C,D1RXJ0.7
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
X,Y2FHN0.7
PDM4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-
PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID
A,B,C1L2O0.71
PDM4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-
PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID
A,C1KWO0.71
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.72
01W(2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoateA,B3DS90.73
BSU1,3-DIPHENYLUREAA3E850.75
BSU1,3-DIPHENYLUREAA2ZJF0.75
NMQN-METHYL O-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D1C0.72
MNQM-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0X0.79
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.7
DAEO,P-DINITROPHENYL AMINOETHYLDIPHOSPHATE-
BERYLLIUM TRIFLUORIDE
A1D1A0.77
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.71
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.71
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.71
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.71
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.71
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
HNT[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-
3-YL]METHANOL
A,B2G700.7